Pistoia Alliance European Conference 2015 - Rob Brown / Dotmatics
•Download as PPTX, PDF•
0 likes•825 views
Slides from a presentation given at the Pistoia Alliance European Conference 2015, in Zurich, Switzerland.
Report
Share
Report
Share
Recommended
Ogilvy & Mather innovation lab
The Ogilvy Digital Lab is a global network of hubs established in 2008 to partner with clients and educate employees on new technologies and media. The London Digital Lab aims to inspire creative solutions through workshops, internal education, client projects, research partnerships, and knowledge sharing. The Labs work across disciplines to enable innovative revenue streams for Ogilvy and address problems such as skills gaps through their Semesters of Learning program.
Pistoia Alliance conference April 2016: Big Data: Mathew Woodwark
This document discusses big biomedical data and the challenges of integrating diverse data types. It describes MedImmune's goal of collecting, storing, and integrating both internal and external data from multiple omics sources like genomics, proteomics, transcriptomics, and clinical data. An integrative informatics architecture is proposed with different layers including a portal, data marts, integration engine, and visualization layer to enable querying and analysis of structured, semi-structured, and unstructured data from various sources. The document also notes several considerations for genomics big data, including data volume, security, consent, geography, integrating phenotypic data from other sources, enabling global collaboration, and pursuing more comprehensive integration.
Pistoia Alliance USA Conference 2016
The document discusses the increasing importance of capturing intellectual property (IP) in collaborative partnerships between companies. As many as 75% of biopharmaceutical companies now have research partnerships, making up 40% of their R&D budgets. However, 60-70% of collaborations fail due to issues like unclear roles and data inconsistencies. A dedicated collaboration informatics system can help address challenges by providing secure scientific data storage and exchange, end-to-end research capabilities, real-time project management and tracking, and a full audit trail to properly manage and distribute IP between partners. The future of IP capture needs solutions that can support various collaboration models and optimize scientific collaboration and progress across organizations.
Open Drug Discovery Teams
Sean Ekins (Collaborative Drug Discovery) provides an overview of this potential Pistoia Alliance project during the "Dragons' Den" session at the Pistoia Alliance Conference in Boston, MA, on April 24, 2012.
Low Hanging Fruit Breakout Discussion #2
Four projects (compound risk dossier, text mining, screening data management, and support for cloud collaboration) were outlined during a breakout discussion led by Paul Bradley and Barry Hardy at the Pistoia Alliance Information Ecosystem Workshop in October 2011.
Pistoia Alliance RSC evening event 2015: Stefan Klostermann, Roche, on the HE...
The HELM Antibody Editor allows for the analysis, decomposition, visualization, and manipulation of antibody sequences. It can automatically detect domains, cysteine bonds, and antibody formats from raw sequences. The editor integrates with the HELM Editor and notation for further editing domains and assembling antibody-drug conjugates. It also enables structure-activity relationship analysis and component retrieval across projects using the HELM registration system. The goal is to make the HELM Antibody Editor publicly available on Github in early 2015 to facilitate antibody-drug development.
Pistoia Alliance Debates: PhUSE Framework for the Adoption of Cloud Technolog...
The document summarizes a webinar presented by the Pharmaceutical User Software Exchange (PhUSE) on their framework for adopting cloud technology in the regulated life sciences industry. The webinar covered the benefits of cloud computing, issues that need to be addressed, an overview of the PhUSE framework, and examples of cloud supply chain models. Speakers from life sciences companies and cloud providers discussed key aspects of the framework and how it provides guidance for quality management system practices that enable scalable, agile, and automated use of cloud systems in a regulated environment.
Cognizant -- New Business Models through Collaborations
The Pistoia Alliance Conference in April 2011 included a series of 10-minute "lightning talks" from vendors about what they think pharma will look like in 2020. This presentation was delivered by Jack Angier of Cognizant.
Recommended
Ogilvy & Mather innovation lab
The Ogilvy Digital Lab is a global network of hubs established in 2008 to partner with clients and educate employees on new technologies and media. The London Digital Lab aims to inspire creative solutions through workshops, internal education, client projects, research partnerships, and knowledge sharing. The Labs work across disciplines to enable innovative revenue streams for Ogilvy and address problems such as skills gaps through their Semesters of Learning program.
Pistoia Alliance conference April 2016: Big Data: Mathew Woodwark
This document discusses big biomedical data and the challenges of integrating diverse data types. It describes MedImmune's goal of collecting, storing, and integrating both internal and external data from multiple omics sources like genomics, proteomics, transcriptomics, and clinical data. An integrative informatics architecture is proposed with different layers including a portal, data marts, integration engine, and visualization layer to enable querying and analysis of structured, semi-structured, and unstructured data from various sources. The document also notes several considerations for genomics big data, including data volume, security, consent, geography, integrating phenotypic data from other sources, enabling global collaboration, and pursuing more comprehensive integration.
Pistoia Alliance USA Conference 2016
The document discusses the increasing importance of capturing intellectual property (IP) in collaborative partnerships between companies. As many as 75% of biopharmaceutical companies now have research partnerships, making up 40% of their R&D budgets. However, 60-70% of collaborations fail due to issues like unclear roles and data inconsistencies. A dedicated collaboration informatics system can help address challenges by providing secure scientific data storage and exchange, end-to-end research capabilities, real-time project management and tracking, and a full audit trail to properly manage and distribute IP between partners. The future of IP capture needs solutions that can support various collaboration models and optimize scientific collaboration and progress across organizations.
Open Drug Discovery Teams
Sean Ekins (Collaborative Drug Discovery) provides an overview of this potential Pistoia Alliance project during the "Dragons' Den" session at the Pistoia Alliance Conference in Boston, MA, on April 24, 2012.
Low Hanging Fruit Breakout Discussion #2
Four projects (compound risk dossier, text mining, screening data management, and support for cloud collaboration) were outlined during a breakout discussion led by Paul Bradley and Barry Hardy at the Pistoia Alliance Information Ecosystem Workshop in October 2011.
Pistoia Alliance RSC evening event 2015: Stefan Klostermann, Roche, on the HE...
The HELM Antibody Editor allows for the analysis, decomposition, visualization, and manipulation of antibody sequences. It can automatically detect domains, cysteine bonds, and antibody formats from raw sequences. The editor integrates with the HELM Editor and notation for further editing domains and assembling antibody-drug conjugates. It also enables structure-activity relationship analysis and component retrieval across projects using the HELM registration system. The goal is to make the HELM Antibody Editor publicly available on Github in early 2015 to facilitate antibody-drug development.
Pistoia Alliance Debates: PhUSE Framework for the Adoption of Cloud Technolog...
The document summarizes a webinar presented by the Pharmaceutical User Software Exchange (PhUSE) on their framework for adopting cloud technology in the regulated life sciences industry. The webinar covered the benefits of cloud computing, issues that need to be addressed, an overview of the PhUSE framework, and examples of cloud supply chain models. Speakers from life sciences companies and cloud providers discussed key aspects of the framework and how it provides guidance for quality management system practices that enable scalable, agile, and automated use of cloud systems in a regulated environment.
Cognizant -- New Business Models through Collaborations
The Pistoia Alliance Conference in April 2011 included a series of 10-minute "lightning talks" from vendors about what they think pharma will look like in 2020. This presentation was delivered by Jack Angier of Cognizant.
Fairification experience clarifying the semantics of data matrices
This webinar presents the Statistics Ontology, STATO which is a semantic framework to support the creation of standardized analysis reports to help with review of results in the form of data matrices. STATO includes a hierarchy of classes and a vocabulary for annotating statistical methods used in life, natural and biomedical sciences investigations, text mining and statistical analyses.
MPS webinar master deck
This webinar discusses driving adoption of microphysiological systems (MPS) in drug R&D. The webinar agenda includes presentations on multi-organ chips for safety and efficacy assessment from TissUse, current applications and future perspectives of organ-on-chips in pharmaceutical industry from AstraZeneca, and driving adoption of MPS from ToxRox Consulting. A panel discussion will be moderated by Mary Ellen Cosenza. The presentations will cover benefits of MPS for reducing drug failures and animal testing, applications across drug discovery and development, challenges for adoption, and perspectives from industry.
Digital webinar master deck final
Federated Learning (FL) is a learning paradigm that enables collaborative learning without centralizing datasets. In this webinar, NVIDIA present the concept of FL and discuss how it can help overcome some of the barriers seen in the development of AI-based solutions for pharma, genomics and healthcare. Following the presentation, the panel debate on other elements that could drive the adoption of digital approaches more widely and help answer currently intractable science and business questions.
Heartificial intelligence - claudio-mirti
It seems that AI is also becoming a buzzword, like design thinking. Everyone is talking about AI or wants to have AI, and sees all the ideas and benefits – that’s fine, but how do you get started? But what’s different now? Three innovations have finally put AI on the fast track: Big Data, with the internet and sensors everywhere; massive computing power, especially through the Cloud; and the development of breakthrough algorithms, so computers can be trained to accomplish more sophisticated tasks on their own with deep learning. If you use new technology, you need to explore and know what’s possible. With design thinking, it aids to outline the steps and define the ways in which you’re going to create the solution. Starting with mapping the customer journey, defining who will be using that service enhanced with intelligent technology, or who will benefit and gain value from it. We discuss how these two worlds are coming together, and how you get started to transform your venture with Artificial Intelligence using Design Thinking.
Speaker: Claudio Mirti, Principal Solution Specialist – Data & AI, Microsoft
Fair by design
Themes and objectives:
To position FAIR as a key enabler to automate and accelerate R&D process workflows
FAIR Implementation within the context of a use case
Grounded in precise outcomes (e.g. faster and bigger science / more reuse of data to enhance value / increased ability to share data for collaboration and partnership)
To make data actionable through FAIR interoperability
Speakers:
Mathew Woodwark,Head of Data Infrastructure and Tools, Data Science & AI, AstraZeneca
Erik Schultes, International Science Coordinator, GO-FAIR
Georges Heiter, Founder & CEO, Databiology
Knowledge graphs ilaria maresi the hyve 23apr2020
Data for drug discovery and healthcare is often trapped in silos which hampers effective interpretation and reuse. To remedy this, such data needs to be linked both internally and to external sources to make a FAIR data landscape which can power semantic models and knowledge graphs.
2020.04.07 automated molecular design and the bradshaw platform webinar
This presentation described how data-driven chemoinformatics methods may automate much of what has historically been done by a medicinal chemist. It explored what is reasonable to expect “AI” approaches might achieve, and what is best left with a human expert. The implications of automation for the human-machine interface were explored and illustrated with examples from Bradshaw, GSK’s experimental automated design environment.
Data market evolution, a future shaped by FAIR
This presentation reviewed the challenges in identifying, acquiring and utilizing research data in relation to an evolving data market. Strategic solutions were examined in which the FAIR principles play a key role in the future of data management.
AI in translational medicine webinar
Dr. Dennis Wang discusses possible ways to enable ML methods to be more powerful for discovery and to reduce ambiguity within translational medicine, allowing data-informed decision-making to deliver the next generation of diagnostics and therapeutics to patients quicker, at lowered costs, and at scale.
The talk by Dr. Dennis Wang was followed by a panel discussion with Mr. Albert Wang, M. Eng., Head, IT Business Partner, Translational Research & Technologies, Bristol-Myers Squibb.
CEDAR work bench for metadata management
With the explosion of interest in both enhanced knowledge management and open science, the past few years have seen considerable discussion about making scientific data “FAIR” — findable, accessible, interoperable, and reusable. The problem is that most scientific datasets are not FAIR. When left to their own devices, scientists do an absolutely terrible job creating the metadata that describe the experimental datasets that make their way in online repositories. The lack of standardization makes it extremely difficult for other investigators to locate relevant datasets, to re-analyse them, and to integrate those datasets with other data. The Center for Expanded Data Annotation and Retrieval (CEDAR) has the goal of enhancing the authoring of experimental metadata to make online datasets more useful to the scientific community. The CEDAR work bench for metadata management will be presented in this webinar. CEDAR illustrates the importance of semantic technology to driving open science. It also demonstrates a means for simplifying access to scientific data sets and enhancing the reuse of the data to drive new discoveries.
Open interoperability standards, tools and services at EMBL-EBI
In this webinar Dr Henriette Harmse from EMBL-EBI presents how they are using their ontology services at EMBL-EBI to scale up the annotation of data and deliver added value through ontologies and semantics to their users.
Fair webinar, Ted slater: progress towards commercial fair data products and ...
Elsevier is a global information analytics business that helps institutions and professional’s
advance healthcare and open science to improve performance for the benefit of humanity.
In this webinar, we discuss how Elsevier is increasingly leveraging the FAIR Guiding Principles to improve its products and services to better serve the scientific community.
Application of recently developed FAIR metrics to the ELIXIR Core Data Resources
The FAIR (Findable, Accessible, Interoperable and Reusable) principles aim to maximize the discovery and reuse of digital resources. Using recently developed software and metrics to assess FAIRness and supported through an ELIXIR Implementation Study, Michel worked with a subset of ELIXIR Core Data Resources to apply these technologies. In this webinar, he will discuss their approach, findings, and lessons learned towards the understanding and promotion of the FAIR principles.
Implementing Blockchain applications in healthcare
Blockchain technology can revolutionise the way information is exchanged between parties by bringing an unprecedented level of security and trust to these transactions. The technology is finding its way into multiple use cases but we are yet to see full adoption and real-world business implementation in the Healthcare industry.
In this webinar we will explore the main challenges and considerations for the implementation of Blockchain technology in Healthcare use cases. This is the third webinar in our Blockchain Education series.
Building trust and accountability - the role User Experience design can play ...
In this webinar our panel of UX specialists give a brief introduction to User Experience before presenting the design opportunities UX can bring to AI. We all know that AI has great potential but has some significant hurdles to overcome not least so the human aspect of trust and ethical considerations when designing in the life sciences.
Pistoia Alliance-Elsevier Datathon
This document summarizes a webinar on using machine learning and data mining techniques to predict drug repurposing opportunities for chronic pancreatitis. Specifically:
1. Ensemble learning techniques like kernel-based models were used to analyze drug and disease target interaction data from multiple sources to identify potential drug candidates for repurposing.
2. The top 5 repurposing candidates identified through this process were being evaluated further by the partner organization Mission-Cure with the goal of beginning patient trials by January 2020.
3. Additional techniques discussed included using compressed sensing to analyze drug-disease networks and predict side effects to help evaluate candidate drugs identified for repurposing opportunities.
Data for AI models, the past, the present, the future
Prof. John Overington, the CIO of the Medicines Discovery Catapult describes the AssayNet project and its very far reaching implications.
PA webinar on benefits & costs of FAIR implementation in life sciences
The slides from the Pistoia Alliance Debates Webinar where a panel of experts from technology support providers and the biopharma industry, who have been invited to share their views on the "Benefits and costs of FAIR Implementation for life science industry".
AI & ML in Drug Design: Pistoia Alliance CoE
Creating novel drugs is an extraordinarily hard and complex problem.
One of the many challenges in drug design is the sheer size of the search space for novel chemical compounds. Scientists need to find molecules that are active toward a biological target or pathway and at the same time have acceptable ADMET properties.
There is now considerable research going on using various AI and ML approaches to tackle these challenges.
Our distinguished speakers, Drs. Alex Tropsha and Ola Engkvist, will discuss their recent work in Drug Design involving Deep Reinforcement Learning and Neural Networks, and will answer questions from the audience on the current state of the research in the field.
Speakers:
Prof Alex Tropsha, Professor at University of North Carolina at Chapel Hill, USA
Dr. Ola Engkvist, Associate Director at AstraZeneca R&D, Gothenburg, Sweden
Ai in drug design webinar 26 feb 2019
Alexander Tropsha presented on using AI and machine learning for drug design and discovery. He discussed using QSAR models to predict properties and activity of molecules based on their structural descriptors. He also introduced ReLeaSE, a new method using deep reinforcement learning to generate novel drug-like molecules and guide chemical library design through a thought cycle of molecule generation, model building, and iterative improvement. If successful, this approach could disrupt traditional computational drug discovery pipelines.
Authoring a personal GPT for your research and practice: How we created the Q...
Thematic analysis in qualitative research is a time-consuming and systematic task, typically done using teams. Team members must ground their activities on common understandings of the major concepts underlying the thematic analysis, and define criteria for its development. However, conceptual misunderstandings, equivocations, and lack of adherence to criteria are challenges to the quality and speed of this process. Given the distributed and uncertain nature of this process, we wondered if the tasks in thematic analysis could be supported by readily available artificial intelligence chatbots. Our early efforts point to potential benefits: not just saving time in the coding process but better adherence to criteria and grounding, by increasing triangulation between humans and artificial intelligence. This tutorial will provide a description and demonstration of the process we followed, as two academic researchers, to develop a custom ChatGPT to assist with qualitative coding in the thematic data analysis process of immersive learning accounts in a survey of the academic literature: QUAL-E Immersive Learning Thematic Analysis Helper. In the hands-on time, participants will try out QUAL-E and develop their ideas for their own qualitative coding ChatGPT. Participants that have the paid ChatGPT Plus subscription can create a draft of their assistants. The organizers will provide course materials and slide deck that participants will be able to utilize to continue development of their custom GPT. The paid subscription to ChatGPT Plus is not required to participate in this workshop, just for trying out personal GPTs during it.
More Related Content
More from Pistoia Alliance
Fairification experience clarifying the semantics of data matrices
This webinar presents the Statistics Ontology, STATO which is a semantic framework to support the creation of standardized analysis reports to help with review of results in the form of data matrices. STATO includes a hierarchy of classes and a vocabulary for annotating statistical methods used in life, natural and biomedical sciences investigations, text mining and statistical analyses.
MPS webinar master deck
This webinar discusses driving adoption of microphysiological systems (MPS) in drug R&D. The webinar agenda includes presentations on multi-organ chips for safety and efficacy assessment from TissUse, current applications and future perspectives of organ-on-chips in pharmaceutical industry from AstraZeneca, and driving adoption of MPS from ToxRox Consulting. A panel discussion will be moderated by Mary Ellen Cosenza. The presentations will cover benefits of MPS for reducing drug failures and animal testing, applications across drug discovery and development, challenges for adoption, and perspectives from industry.
Digital webinar master deck final
Federated Learning (FL) is a learning paradigm that enables collaborative learning without centralizing datasets. In this webinar, NVIDIA present the concept of FL and discuss how it can help overcome some of the barriers seen in the development of AI-based solutions for pharma, genomics and healthcare. Following the presentation, the panel debate on other elements that could drive the adoption of digital approaches more widely and help answer currently intractable science and business questions.
Heartificial intelligence - claudio-mirti
It seems that AI is also becoming a buzzword, like design thinking. Everyone is talking about AI or wants to have AI, and sees all the ideas and benefits – that’s fine, but how do you get started? But what’s different now? Three innovations have finally put AI on the fast track: Big Data, with the internet and sensors everywhere; massive computing power, especially through the Cloud; and the development of breakthrough algorithms, so computers can be trained to accomplish more sophisticated tasks on their own with deep learning. If you use new technology, you need to explore and know what’s possible. With design thinking, it aids to outline the steps and define the ways in which you’re going to create the solution. Starting with mapping the customer journey, defining who will be using that service enhanced with intelligent technology, or who will benefit and gain value from it. We discuss how these two worlds are coming together, and how you get started to transform your venture with Artificial Intelligence using Design Thinking.
Speaker: Claudio Mirti, Principal Solution Specialist – Data & AI, Microsoft
Fair by design
Themes and objectives:
To position FAIR as a key enabler to automate and accelerate R&D process workflows
FAIR Implementation within the context of a use case
Grounded in precise outcomes (e.g. faster and bigger science / more reuse of data to enhance value / increased ability to share data for collaboration and partnership)
To make data actionable through FAIR interoperability
Speakers:
Mathew Woodwark,Head of Data Infrastructure and Tools, Data Science & AI, AstraZeneca
Erik Schultes, International Science Coordinator, GO-FAIR
Georges Heiter, Founder & CEO, Databiology
Knowledge graphs ilaria maresi the hyve 23apr2020
Data for drug discovery and healthcare is often trapped in silos which hampers effective interpretation and reuse. To remedy this, such data needs to be linked both internally and to external sources to make a FAIR data landscape which can power semantic models and knowledge graphs.
2020.04.07 automated molecular design and the bradshaw platform webinar
This presentation described how data-driven chemoinformatics methods may automate much of what has historically been done by a medicinal chemist. It explored what is reasonable to expect “AI” approaches might achieve, and what is best left with a human expert. The implications of automation for the human-machine interface were explored and illustrated with examples from Bradshaw, GSK’s experimental automated design environment.
Data market evolution, a future shaped by FAIR
This presentation reviewed the challenges in identifying, acquiring and utilizing research data in relation to an evolving data market. Strategic solutions were examined in which the FAIR principles play a key role in the future of data management.
AI in translational medicine webinar
Dr. Dennis Wang discusses possible ways to enable ML methods to be more powerful for discovery and to reduce ambiguity within translational medicine, allowing data-informed decision-making to deliver the next generation of diagnostics and therapeutics to patients quicker, at lowered costs, and at scale.
The talk by Dr. Dennis Wang was followed by a panel discussion with Mr. Albert Wang, M. Eng., Head, IT Business Partner, Translational Research & Technologies, Bristol-Myers Squibb.
CEDAR work bench for metadata management
With the explosion of interest in both enhanced knowledge management and open science, the past few years have seen considerable discussion about making scientific data “FAIR” — findable, accessible, interoperable, and reusable. The problem is that most scientific datasets are not FAIR. When left to their own devices, scientists do an absolutely terrible job creating the metadata that describe the experimental datasets that make their way in online repositories. The lack of standardization makes it extremely difficult for other investigators to locate relevant datasets, to re-analyse them, and to integrate those datasets with other data. The Center for Expanded Data Annotation and Retrieval (CEDAR) has the goal of enhancing the authoring of experimental metadata to make online datasets more useful to the scientific community. The CEDAR work bench for metadata management will be presented in this webinar. CEDAR illustrates the importance of semantic technology to driving open science. It also demonstrates a means for simplifying access to scientific data sets and enhancing the reuse of the data to drive new discoveries.
Open interoperability standards, tools and services at EMBL-EBI
In this webinar Dr Henriette Harmse from EMBL-EBI presents how they are using their ontology services at EMBL-EBI to scale up the annotation of data and deliver added value through ontologies and semantics to their users.
Fair webinar, Ted slater: progress towards commercial fair data products and ...
Elsevier is a global information analytics business that helps institutions and professional’s
advance healthcare and open science to improve performance for the benefit of humanity.
In this webinar, we discuss how Elsevier is increasingly leveraging the FAIR Guiding Principles to improve its products and services to better serve the scientific community.
Application of recently developed FAIR metrics to the ELIXIR Core Data Resources
The FAIR (Findable, Accessible, Interoperable and Reusable) principles aim to maximize the discovery and reuse of digital resources. Using recently developed software and metrics to assess FAIRness and supported through an ELIXIR Implementation Study, Michel worked with a subset of ELIXIR Core Data Resources to apply these technologies. In this webinar, he will discuss their approach, findings, and lessons learned towards the understanding and promotion of the FAIR principles.
Implementing Blockchain applications in healthcare
Blockchain technology can revolutionise the way information is exchanged between parties by bringing an unprecedented level of security and trust to these transactions. The technology is finding its way into multiple use cases but we are yet to see full adoption and real-world business implementation in the Healthcare industry.
In this webinar we will explore the main challenges and considerations for the implementation of Blockchain technology in Healthcare use cases. This is the third webinar in our Blockchain Education series.
Building trust and accountability - the role User Experience design can play ...
In this webinar our panel of UX specialists give a brief introduction to User Experience before presenting the design opportunities UX can bring to AI. We all know that AI has great potential but has some significant hurdles to overcome not least so the human aspect of trust and ethical considerations when designing in the life sciences.
Pistoia Alliance-Elsevier Datathon
This document summarizes a webinar on using machine learning and data mining techniques to predict drug repurposing opportunities for chronic pancreatitis. Specifically:
1. Ensemble learning techniques like kernel-based models were used to analyze drug and disease target interaction data from multiple sources to identify potential drug candidates for repurposing.
2. The top 5 repurposing candidates identified through this process were being evaluated further by the partner organization Mission-Cure with the goal of beginning patient trials by January 2020.
3. Additional techniques discussed included using compressed sensing to analyze drug-disease networks and predict side effects to help evaluate candidate drugs identified for repurposing opportunities.
Data for AI models, the past, the present, the future
Prof. John Overington, the CIO of the Medicines Discovery Catapult describes the AssayNet project and its very far reaching implications.
PA webinar on benefits & costs of FAIR implementation in life sciences
The slides from the Pistoia Alliance Debates Webinar where a panel of experts from technology support providers and the biopharma industry, who have been invited to share their views on the "Benefits and costs of FAIR Implementation for life science industry".
AI & ML in Drug Design: Pistoia Alliance CoE
Creating novel drugs is an extraordinarily hard and complex problem.
One of the many challenges in drug design is the sheer size of the search space for novel chemical compounds. Scientists need to find molecules that are active toward a biological target or pathway and at the same time have acceptable ADMET properties.
There is now considerable research going on using various AI and ML approaches to tackle these challenges.
Our distinguished speakers, Drs. Alex Tropsha and Ola Engkvist, will discuss their recent work in Drug Design involving Deep Reinforcement Learning and Neural Networks, and will answer questions from the audience on the current state of the research in the field.
Speakers:
Prof Alex Tropsha, Professor at University of North Carolina at Chapel Hill, USA
Dr. Ola Engkvist, Associate Director at AstraZeneca R&D, Gothenburg, Sweden
Ai in drug design webinar 26 feb 2019
Alexander Tropsha presented on using AI and machine learning for drug design and discovery. He discussed using QSAR models to predict properties and activity of molecules based on their structural descriptors. He also introduced ReLeaSE, a new method using deep reinforcement learning to generate novel drug-like molecules and guide chemical library design through a thought cycle of molecule generation, model building, and iterative improvement. If successful, this approach could disrupt traditional computational drug discovery pipelines.
More from Pistoia Alliance (20)
Fairification experience clarifying the semantics of data matrices
Fairification experience clarifying the semantics of data matrices
2020.04.07 automated molecular design and the bradshaw platform webinar
2020.04.07 automated molecular design and the bradshaw platform webinar
Open interoperability standards, tools and services at EMBL-EBI
Open interoperability standards, tools and services at EMBL-EBI
Fair webinar, Ted slater: progress towards commercial fair data products and ...
Fair webinar, Ted slater: progress towards commercial fair data products and ...
Application of recently developed FAIR metrics to the ELIXIR Core Data Resources
Application of recently developed FAIR metrics to the ELIXIR Core Data Resources
Implementing Blockchain applications in healthcare
Implementing Blockchain applications in healthcare
Building trust and accountability - the role User Experience design can play ...
Building trust and accountability - the role User Experience design can play ...
Data for AI models, the past, the present, the future
Data for AI models, the past, the present, the future
PA webinar on benefits & costs of FAIR implementation in life sciences
PA webinar on benefits & costs of FAIR implementation in life sciences
Recently uploaded
Authoring a personal GPT for your research and practice: How we created the Q...
Thematic analysis in qualitative research is a time-consuming and systematic task, typically done using teams. Team members must ground their activities on common understandings of the major concepts underlying the thematic analysis, and define criteria for its development. However, conceptual misunderstandings, equivocations, and lack of adherence to criteria are challenges to the quality and speed of this process. Given the distributed and uncertain nature of this process, we wondered if the tasks in thematic analysis could be supported by readily available artificial intelligence chatbots. Our early efforts point to potential benefits: not just saving time in the coding process but better adherence to criteria and grounding, by increasing triangulation between humans and artificial intelligence. This tutorial will provide a description and demonstration of the process we followed, as two academic researchers, to develop a custom ChatGPT to assist with qualitative coding in the thematic data analysis process of immersive learning accounts in a survey of the academic literature: QUAL-E Immersive Learning Thematic Analysis Helper. In the hands-on time, participants will try out QUAL-E and develop their ideas for their own qualitative coding ChatGPT. Participants that have the paid ChatGPT Plus subscription can create a draft of their assistants. The organizers will provide course materials and slide deck that participants will be able to utilize to continue development of their custom GPT. The paid subscription to ChatGPT Plus is not required to participate in this workshop, just for trying out personal GPTs during it.
The debris of the ‘last major merger’ is dynamically young
The Milky Way’s (MW) inner stellar halo contains an [Fe/H]-rich component with highly eccentric orbits, often referred to as the
‘last major merger.’ Hypotheses for the origin of this component include Gaia-Sausage/Enceladus (GSE), where the progenitor
collided with the MW proto-disc 8–11 Gyr ago, and the Virgo Radial Merger (VRM), where the progenitor collided with the
MW disc within the last 3 Gyr. These two scenarios make different predictions about observable structure in local phase space,
because the morphology of debris depends on how long it has had to phase mix. The recently identified phase-space folds in Gaia
DR3 have positive caustic velocities, making them fundamentally different than the phase-mixed chevrons found in simulations
at late times. Roughly 20 per cent of the stars in the prograde local stellar halo are associated with the observed caustics. Based
on a simple phase-mixing model, the observed number of caustics are consistent with a merger that occurred 1–2 Gyr ago.
We also compare the observed phase-space distribution to FIRE-2 Latte simulations of GSE-like mergers, using a quantitative
measurement of phase mixing (2D causticality). The observed local phase-space distribution best matches the simulated data
1–2 Gyr after collision, and certainly not later than 3 Gyr. This is further evidence that the progenitor of the ‘last major merger’
did not collide with the MW proto-disc at early times, as is thought for the GSE, but instead collided with the MW disc within
the last few Gyr, consistent with the body of work surrounding the VRM.
Summary Of transcription and Translation.pdf
Hello Everyone Here We are Sharing You with The process of protien Synthesis in very short points you will be Able to understand It Very well
EWOCS-I: The catalog of X-ray sources in Westerlund 1 from the Extended Weste...
Context. With a mass exceeding several 104 M⊙ and a rich and dense population of massive stars, supermassive young star clusters
represent the most massive star-forming environment that is dominated by the feedback from massive stars and gravitational interactions
among stars.
Aims. In this paper we present the Extended Westerlund 1 and 2 Open Clusters Survey (EWOCS) project, which aims to investigate
the influence of the starburst environment on the formation of stars and planets, and on the evolution of both low and high mass stars.
The primary targets of this project are Westerlund 1 and 2, the closest supermassive star clusters to the Sun.
Methods. The project is based primarily on recent observations conducted with the Chandra and JWST observatories. Specifically,
the Chandra survey of Westerlund 1 consists of 36 new ACIS-I observations, nearly co-pointed, for a total exposure time of 1 Msec.
Additionally, we included 8 archival Chandra/ACIS-S observations. This paper presents the resulting catalog of X-ray sources within
and around Westerlund 1. Sources were detected by combining various existing methods, and photon extraction and source validation
were carried out using the ACIS-Extract software.
Results. The EWOCS X-ray catalog comprises 5963 validated sources out of the 9420 initially provided to ACIS-Extract, reaching a
photon flux threshold of approximately 2 × 10−8 photons cm−2
s
−1
. The X-ray sources exhibit a highly concentrated spatial distribution,
with 1075 sources located within the central 1 arcmin. We have successfully detected X-ray emissions from 126 out of the 166 known
massive stars of the cluster, and we have collected over 71 000 photons from the magnetar CXO J164710.20-455217.
8.Isolation of pure cultures and preservation of cultures.pdf
Isolation of pure culture, its various method.
Describing and Interpreting an Immersive Learning Case with the Immersion Cub...
Current descriptions of immersive learning cases are often difficult or impossible to compare. This is due to a myriad of different options on what details to include, which aspects are relevant, and on the descriptive approaches employed. Also, these aspects often combine very specific details with more general guidelines or indicate intents and rationales without clarifying their implementation. In this paper we provide a method to describe immersive learning cases that is structured to enable comparisons, yet flexible enough to allow researchers and practitioners to decide which aspects to include. This method leverages a taxonomy that classifies educational aspects at three levels (uses, practices, and strategies) and then utilizes two frameworks, the Immersive Learning Brain and the Immersion Cube, to enable a structured description and interpretation of immersive learning cases. The method is then demonstrated on a published immersive learning case on training for wind turbine maintenance using virtual reality. Applying the method results in a structured artifact, the Immersive Learning Case Sheet, that tags the case with its proximal uses, practices, and strategies, and refines the free text case description to ensure that matching details are included. This contribution is thus a case description method in support of future comparative research of immersive learning cases. We then discuss how the resulting description and interpretation can be leveraged to change immersion learning cases, by enriching them (considering low-effort changes or additions) or innovating (exploring more challenging avenues of transformation). The method holds significant promise to support better-grounded research in immersive learning.
Discovery of An Apparent Red, High-Velocity Type Ia Supernova at 𝐳 = 2.9 wi...
We present the JWST discovery of SN 2023adsy, a transient object located in a host galaxy JADES-GS
+
53.13485
−
27.82088
with a host spectroscopic redshift of
2.903
±
0.007
. The transient was identified in deep James Webb Space Telescope (JWST)/NIRCam imaging from the JWST Advanced Deep Extragalactic Survey (JADES) program. Photometric and spectroscopic followup with NIRCam and NIRSpec, respectively, confirm the redshift and yield UV-NIR light-curve, NIR color, and spectroscopic information all consistent with a Type Ia classification. Despite its classification as a likely SN Ia, SN 2023adsy is both fairly red (
�
(
�
−
�
)
∼
0.9
) despite a host galaxy with low-extinction and has a high Ca II velocity (
19
,
000
±
2
,
000
km/s) compared to the general population of SNe Ia. While these characteristics are consistent with some Ca-rich SNe Ia, particularly SN 2016hnk, SN 2023adsy is intrinsically brighter than the low-
�
Ca-rich population. Although such an object is too red for any low-
�
cosmological sample, we apply a fiducial standardization approach to SN 2023adsy and find that the SN 2023adsy luminosity distance measurement is in excellent agreement (
≲
1
�
) with
Λ
CDM. Therefore unlike low-
�
Ca-rich SNe Ia, SN 2023adsy is standardizable and gives no indication that SN Ia standardized luminosities change significantly with redshift. A larger sample of distant SNe Ia is required to determine if SN Ia population characteristics at high-
�
truly diverge from their low-
�
counterparts, and to confirm that standardized luminosities nevertheless remain constant with redshift.
HUMAN EYE By-R.M Class 10 phy best digital notes.pdf
Class 10 human eye notes physics
Handwritten best quality
The binding of cosmological structures by massless topological defects
Assuming spherical symmetry and weak field, it is shown that if one solves the Poisson equation or the Einstein field
equations sourced by a topological defect, i.e. a singularity of a very specific form, the result is a localized gravitational
field capable of driving flat rotation (i.e. Keplerian circular orbits at a constant speed for all radii) of test masses on a thin
spherical shell without any underlying mass. Moreover, a large-scale structure which exploits this solution by assembling
concentrically a number of such topological defects can establish a flat stellar or galactic rotation curve, and can also deflect
light in the same manner as an equipotential (isothermal) sphere. Thus, the need for dark matter or modified gravity theory is
mitigated, at least in part.
MICROBIAL INTERACTION PPT/ MICROBIAL INTERACTION AND THEIR TYPES // PLANT MIC...
MICROBIAL INTERACTION PPT/ MICROBIAL INTERACTION AND THEIR TYPES // PLANT MIC...ABHISHEK SONI NIMT INSTITUTE OF MEDICAL AND PARAMEDCIAL SCIENCES , GOVT PG COLLEGE NOIDA
Microbial interaction
Microorganisms interacts with each other and can be physically associated with another organisms in a variety of ways.
One organism can be located on the surface of another organism as an ectobiont or located within another organism as endobiont.
Microbial interaction may be positive such as mutualism, proto-cooperation, commensalism or may be negative such as parasitism, predation or competition
Types of microbial interaction
Positive interaction: mutualism, proto-cooperation, commensalism
Negative interaction: Ammensalism (antagonism), parasitism, predation, competition
I. Mutualism:
It is defined as the relationship in which each organism in interaction gets benefits from association. It is an obligatory relationship in which mutualist and host are metabolically dependent on each other.
Mutualistic relationship is very specific where one member of association cannot be replaced by another species.
Mutualism require close physical contact between interacting organisms.
Relationship of mutualism allows organisms to exist in habitat that could not occupied by either species alone.
Mutualistic relationship between organisms allows them to act as a single organism.
Examples of mutualism:
i. Lichens:
Lichens are excellent example of mutualism.
They are the association of specific fungi and certain genus of algae. In lichen, fungal partner is called mycobiont and algal partner is called
II. Syntrophism:
It is an association in which the growth of one organism either depends on or improved by the substrate provided by another organism.
In syntrophism both organism in association gets benefits.
Compound A
Utilized by population 1
Compound B
Utilized by population 2
Compound C
utilized by both Population 1+2
Products
In this theoretical example of syntrophism, population 1 is able to utilize and metabolize compound A, forming compound B but cannot metabolize beyond compound B without co-operation of population 2. Population 2is unable to utilize compound A but it can metabolize compound B forming compound C. Then both population 1 and 2 are able to carry out metabolic reaction which leads to formation of end product that neither population could produce alone.
Examples of syntrophism:
i. Methanogenic ecosystem in sludge digester
Methane produced by methanogenic bacteria depends upon interspecies hydrogen transfer by other fermentative bacteria.
Anaerobic fermentative bacteria generate CO2 and H2 utilizing carbohydrates which is then utilized by methanogenic bacteria (Methanobacter) to produce methane.
ii. Lactobacillus arobinosus and Enterococcus faecalis:
In the minimal media, Lactobacillus arobinosus and Enterococcus faecalis are able to grow together but not alone.
The synergistic relationship between E. faecalis and L. arobinosus occurs in which E. faecalis require folic acid
Pests of Storage_Identification_Dr.UPR.pdf
InIndia-post-harvestlosses-unscientificstorage,insects,rodents,micro-organismsetc.,accountforabout10percentoftotalfoodgrains
Graininfestation
Directdamage
Indirectly
•theexuviae,skin,deadinsects
•theirexcretawhichmakefoodunfitforhumanconsumption
About600speciesofinsectshavebeenassociatedwithstoredgrainproducts
100speciesofinsectpestsofstoredproductscauseeconomiclosses
The cost of acquiring information by natural selection
This is a short talk that I gave at the Banff International Research Station workshop on Modeling and Theory in Population Biology. The idea is to try to understand how the burden of natural selection relates to the amount of information that selection puts into the genome.
It's based on the first part of this research paper:
The cost of information acquisition by natural selection
Ryan Seamus McGee, Olivia Kosterlitz, Artem Kaznatcheev, Benjamin Kerr, Carl T. Bergstrom
bioRxiv 2022.07.02.498577; doi: https://doi.org/10.1101/2022.07.02.498577
Anti-Universe And Emergent Gravity and the Dark Universe
Recent theoretical progress indicates that spacetime and gravity emerge together from the entanglement structure of an underlying microscopic theory. These ideas are best understood in Anti-de Sitter space, where they rely on the area law for entanglement entropy. The extension to de Sitter space requires taking into account the entropy and temperature associated with the cosmological horizon. Using insights from string theory, black hole physics and quantum information theory we argue that the positive dark energy leads to a thermal volume law contribution to the entropy that overtakes the area law precisely at the cosmological horizon. Due to the competition between area and volume law entanglement the microscopic de Sitter states do not thermalise at sub-Hubble scales: they exhibit memory effects in the form of an entropy displacement caused by matter. The emergent laws of gravity contain an additional ‘dark’ gravitational force describing the ‘elastic’ response due to the entropy displacement. We derive an estimate of the strength of this extra force in terms of the baryonic mass, Newton’s constant and the Hubble acceleration scale a0 = cH0, and provide evidence for the fact that this additional ‘dark gravity force’ explains the observed phenomena in galaxies and clusters currently attributed to dark matter.
Farming systems analysis: what have we learnt?.pptx
Presentation given at the official farewell of Prof Ken Gillet at Wageningen on 13 June 2024
(June 12, 2024) Webinar: Development of PET theranostics targeting the molecu...
(June 12, 2024) Webinar: Development of PET theranostics targeting the molecu...Scintica Instrumentation
Targeting Hsp90 and its pathogen Orthologs with Tethered Inhibitors as a Diagnostic and Therapeutic Strategy for cancer and infectious diseases with Dr. Timothy Haystead.Direct Seeded Rice - Climate Smart Agriculture
Direct Seeded Rice - Climate Smart AgricultureInternational Food Policy Research Institute- South Asia Office
PPT on Direct Seeded Rice presented at the three-day 'Training and Validation Workshop on Modules of Climate Smart Agriculture (CSA) Technologies in South Asia' workshop on April 22, 2024.
CLASS 12th CHEMISTRY SOLID STATE ppt (Animated)
Description:
Dive into the fascinating realm of solid-state physics with our meticulously crafted online PowerPoint presentation. This immersive educational resource offers a comprehensive exploration of the fundamental concepts, theories, and applications within the realm of solid-state physics.
From crystalline structures to semiconductor devices, this presentation delves into the intricate principles governing the behavior of solids, providing clear explanations and illustrative examples to enhance understanding. Whether you're a student delving into the subject for the first time or a seasoned researcher seeking to deepen your knowledge, our presentation offers valuable insights and in-depth analyses to cater to various levels of expertise.
Key topics covered include:
Crystal Structures: Unravel the mysteries of crystalline arrangements and their significance in determining material properties.
Band Theory: Explore the electronic band structure of solids and understand how it influences their conductive properties.
Semiconductor Physics: Delve into the behavior of semiconductors, including doping, carrier transport, and device applications.
Magnetic Properties: Investigate the magnetic behavior of solids, including ferromagnetism, antiferromagnetism, and ferrimagnetism.
Optical Properties: Examine the interaction of light with solids, including absorption, reflection, and transmission phenomena.
With visually engaging slides, informative content, and interactive elements, our online PowerPoint presentation serves as a valuable resource for students, educators, and enthusiasts alike, facilitating a deeper understanding of the captivating world of solid-state physics. Explore the intricacies of solid-state materials and unlock the secrets behind their remarkable properties with our comprehensive presentation.
Recently uploaded (20)
Authoring a personal GPT for your research and practice: How we created the Q...
Authoring a personal GPT for your research and practice: How we created the Q...
The debris of the ‘last major merger’ is dynamically young
The debris of the ‘last major merger’ is dynamically young
EWOCS-I: The catalog of X-ray sources in Westerlund 1 from the Extended Weste...
EWOCS-I: The catalog of X-ray sources in Westerlund 1 from the Extended Weste...
8.Isolation of pure cultures and preservation of cultures.pdf
8.Isolation of pure cultures and preservation of cultures.pdf
Describing and Interpreting an Immersive Learning Case with the Immersion Cub...
Describing and Interpreting an Immersive Learning Case with the Immersion Cub...
Discovery of An Apparent Red, High-Velocity Type Ia Supernova at 𝐳 = 2.9 wi...
Discovery of An Apparent Red, High-Velocity Type Ia Supernova at 𝐳 = 2.9 wi...
HUMAN EYE By-R.M Class 10 phy best digital notes.pdf
HUMAN EYE By-R.M Class 10 phy best digital notes.pdf
The binding of cosmological structures by massless topological defects
The binding of cosmological structures by massless topological defects
MICROBIAL INTERACTION PPT/ MICROBIAL INTERACTION AND THEIR TYPES // PLANT MIC...
MICROBIAL INTERACTION PPT/ MICROBIAL INTERACTION AND THEIR TYPES // PLANT MIC...
The cost of acquiring information by natural selection
The cost of acquiring information by natural selection
Anti-Universe And Emergent Gravity and the Dark Universe
Anti-Universe And Emergent Gravity and the Dark Universe
Farming systems analysis: what have we learnt?.pptx
Farming systems analysis: what have we learnt?.pptx
(June 12, 2024) Webinar: Development of PET theranostics targeting the molecu...
(June 12, 2024) Webinar: Development of PET theranostics targeting the molecu...
Microbiology of Central Nervous System INFECTIONS.pdf
Microbiology of Central Nervous System INFECTIONS.pdf
Pistoia Alliance European Conference 2015 - Rob Brown / Dotmatics
- 1. dotmaticsknowledge solutions ... Why Dotmatics Joined the Pistoia Alliance
- 2. dotmatics knowledge solutions .. . We provide modern web based informatics solutions to help scientific organizations optimize their research productivity • Founded in 2005, privately owned • HQ: United Kingdom • Offices: San Diego, Boston, Italy, France, Netherlands, Japan, South Korea • Rapid growth in revenue • 70+ employees Company Profile
- 3. dotmatics knowledge solutions .. . • …understand and debate industry trends and needs outside a commercial setting • …understand, influence and help set standards • …understand how to enhance our products with PA solutions (e.g. HELM) • …contribute our knowledge to solving industry problems • …apply our platform and solutions to PA projects where appropriate We joined to…