A presentation by Dr David James, Executive Director of Strategic Innovation at the Royal Society of Chemistry - given at the Open Science Showcase held by the Royal Society of Chemistry on 26 February 2014.
A presentation by Professor Tim Gallagher, University of Bristol - given at the Open Science Showcase held by the Royal Society of Chemistry on 26 February 2014.
A presentation by Dr Lesley Thompson, Director of Science & Engineering, EPSRC - given at the Open Science Showcase held by the Royal Society of Chemistry on 26 February 2014.
The Growing Call for Open Access - Heather Joseph (2007)faflrt
Heather Joseph, formerly of BioOne and currently the Executive Director of SPARC (Scholarly Publishing & Academic Resources Coalition) discussed her group’s advocacy efforts related to Open Access and the Federal Research Public Access Act of 2006. Sponsored by ALA Federal and Armed Forces Libraries Roundtable (FAFLRT). Presented on June 25, 2007 at ALA Annual Conference in Washington, DC.
A presentation by Professor Tim Gallagher, University of Bristol - given at the Open Science Showcase held by the Royal Society of Chemistry on 26 February 2014.
A presentation by Dr Lesley Thompson, Director of Science & Engineering, EPSRC - given at the Open Science Showcase held by the Royal Society of Chemistry on 26 February 2014.
The Growing Call for Open Access - Heather Joseph (2007)faflrt
Heather Joseph, formerly of BioOne and currently the Executive Director of SPARC (Scholarly Publishing & Academic Resources Coalition) discussed her group’s advocacy efforts related to Open Access and the Federal Research Public Access Act of 2006. Sponsored by ALA Federal and Armed Forces Libraries Roundtable (FAFLRT). Presented on June 25, 2007 at ALA Annual Conference in Washington, DC.
A presentation by Rachel Bruce, director open science and research lifecycle, Jisc and Matthew Spitzer, community manager, Centre for Open Science (COS).
This presentation was provided by Judy Luther of Informed Strategies during a NISO webinar entitled, Understanding the Marketplace: Consolidation, the Long Term Impact and the New Players, held on March 8, 2017.
Open Access policies and best practicesIryna Kuchma
The presentation covers good practice approaches to designing and implementing open access policies aligned with the European Commission's (EC) Recommendation to Member States on Access to and preservation of scientific information of July 2012, Guidelines on open access to scientific publications and research data in Horizon 2020 and the EC's Horizon 2020 Multi-beneficiary General Model Grant Agreement. Open access policy alignment check-list will be presented covering the following issues: Are beneficiaries required to deposit and ensure open access? What to deposit? Where to deposit? When to deposit? When should open access be provided? Policy monitoring and compliance as well as open access publishing (from the policy perspective) will also be covered as a part of this presentation. PASTEUR4OA report on the Open access policy effectiveness will provide important evidence that open access policies should include at least three elements for effectiveness, namely, a mandatory deposit that cannot be waived, and linking depositing with research evaluation.
A presentation given at the RECODE workshop on 25th September 2014. It covers what is happening in terms of opening up access to research data at the University of Glasgow and via the Digital Curation Centre. The RECODE project is developing policy recommendations for open access to research data in Europe - http://recodeproject.eu
NISO/BISG 9th Annual Forum: The Changing Standards Landscape Access or Ownership: Evolving Business Models and Your Institution
Welcome and Introductions
Julie Morris, Project Manager, Standards & Best Practices, Book Industry Study Group (BISG)
Building data networks: exploring trust and interoperability between authoris...Repository Fringe
Building data networks: exploring trust and interoperability between authoris, repositories and journals. Varsha Khodiyar , Scientific Data; Neil Chue Hong, Journal of Open Research Software; Rachael Kotarski, DataCite, Peter McQuilton, BioSharing; Reza Salek, Metabolights. At Repository Fringe 2015
CAS, a division of the American Chemical Society, organizes, analyzes and shares information that sparks discoveries that improve the lives of people everywhere. We are a global team of scientists and technologists who offer broad-based solutions that drive discovery and provide deep insights for the scientific enterprise. These breakthroughs lead to innovations that range from product improvements to revelations that solve some of the world’s biggest problems in areas such as the treatment of disease, sustainable energy, and the world’s food supply. Together, we will do great things.
Birgit Schmidt: RDA for Libraries from an International Perspectivedri_ireland
From "A National Approach to Open Research Data in Ireland", a workshop held on 8 September 2017 in National Library of Ireland, organised by The National Library of Ireland, the Digital Repository of Ireland, the Research Data Alliance and Open Research Ireland.
Over the past five years the Royal Society of Chemistry has become world renowned for its public domain compound database that integrates chemical structures with online resources and available data. ChemSpider regularly serves over 50,000 users per day who are seeking chemistry related data. In parallel we have used ChemSpider and available software services to underpin a number of grant-based projects that we have been involved with: Open PHACTS – a semantic web project integrating chemistry and biology data, PharmaSea – seeking out new natural products from the ocean and the National Chemical Database Service for the United Kingdom. We are presently developing a new architecture that will offer broader scope in terms of the types of chemistry data that can be hosted. This presentation will provide an overview of our Cheminformatics activities at RSC, the development of a new architecture for a data repository that will underpin a global chemistry network, and the challenges ahead, as well as our activities in releasing software and data to the chemistry community.
ICIC 2013 Conference Proceedings Antony Williams Royal Society of ChemistryDr. Haxel Consult
The Big Data Challenges Associated with Building a National Data Repository for Chemistry
Antony Williams (Royal Society of Chemistry , USA)
At a time when the data explosion has simply been redefined as “Big”, the hurdles associated with building a subject-specific data repository for chemistry are daunting. Combining a multitude of non-standard data formats for chemicals, related properties, reactions, spectra etc., together with the confusion of licensing and embargoing, and providing for data exchange and integration with services and platforms external to the repository, the challenge is significant. This all at a time when semantic technologies are touted as the fundamental technology to enhance integration and discoverability. Funding agencies are demanding change, especially a change towards access to open data to parallel their expectations around Open Access publishing. The Royal Society of Chemistry has been funded by the Engineering and Physical Science Research of the UK to deliver a “chemical database service” for UK scientists. This presentation will provide an overview of the challenges associated with this project and our progress in delivering a chemistry repository capable of handling the complex data types associated with chemistry. The benefits of such a repository in terms of providing data to develop prediction models to further enable scientific discovery will be discussed and the potential impact on the future of scientific publishing will also be examined.
A presentation by Rachel Bruce, director open science and research lifecycle, Jisc and Matthew Spitzer, community manager, Centre for Open Science (COS).
This presentation was provided by Judy Luther of Informed Strategies during a NISO webinar entitled, Understanding the Marketplace: Consolidation, the Long Term Impact and the New Players, held on March 8, 2017.
Open Access policies and best practicesIryna Kuchma
The presentation covers good practice approaches to designing and implementing open access policies aligned with the European Commission's (EC) Recommendation to Member States on Access to and preservation of scientific information of July 2012, Guidelines on open access to scientific publications and research data in Horizon 2020 and the EC's Horizon 2020 Multi-beneficiary General Model Grant Agreement. Open access policy alignment check-list will be presented covering the following issues: Are beneficiaries required to deposit and ensure open access? What to deposit? Where to deposit? When to deposit? When should open access be provided? Policy monitoring and compliance as well as open access publishing (from the policy perspective) will also be covered as a part of this presentation. PASTEUR4OA report on the Open access policy effectiveness will provide important evidence that open access policies should include at least three elements for effectiveness, namely, a mandatory deposit that cannot be waived, and linking depositing with research evaluation.
A presentation given at the RECODE workshop on 25th September 2014. It covers what is happening in terms of opening up access to research data at the University of Glasgow and via the Digital Curation Centre. The RECODE project is developing policy recommendations for open access to research data in Europe - http://recodeproject.eu
NISO/BISG 9th Annual Forum: The Changing Standards Landscape Access or Ownership: Evolving Business Models and Your Institution
Welcome and Introductions
Julie Morris, Project Manager, Standards & Best Practices, Book Industry Study Group (BISG)
Building data networks: exploring trust and interoperability between authoris...Repository Fringe
Building data networks: exploring trust and interoperability between authoris, repositories and journals. Varsha Khodiyar , Scientific Data; Neil Chue Hong, Journal of Open Research Software; Rachael Kotarski, DataCite, Peter McQuilton, BioSharing; Reza Salek, Metabolights. At Repository Fringe 2015
CAS, a division of the American Chemical Society, organizes, analyzes and shares information that sparks discoveries that improve the lives of people everywhere. We are a global team of scientists and technologists who offer broad-based solutions that drive discovery and provide deep insights for the scientific enterprise. These breakthroughs lead to innovations that range from product improvements to revelations that solve some of the world’s biggest problems in areas such as the treatment of disease, sustainable energy, and the world’s food supply. Together, we will do great things.
Birgit Schmidt: RDA for Libraries from an International Perspectivedri_ireland
From "A National Approach to Open Research Data in Ireland", a workshop held on 8 September 2017 in National Library of Ireland, organised by The National Library of Ireland, the Digital Repository of Ireland, the Research Data Alliance and Open Research Ireland.
Over the past five years the Royal Society of Chemistry has become world renowned for its public domain compound database that integrates chemical structures with online resources and available data. ChemSpider regularly serves over 50,000 users per day who are seeking chemistry related data. In parallel we have used ChemSpider and available software services to underpin a number of grant-based projects that we have been involved with: Open PHACTS – a semantic web project integrating chemistry and biology data, PharmaSea – seeking out new natural products from the ocean and the National Chemical Database Service for the United Kingdom. We are presently developing a new architecture that will offer broader scope in terms of the types of chemistry data that can be hosted. This presentation will provide an overview of our Cheminformatics activities at RSC, the development of a new architecture for a data repository that will underpin a global chemistry network, and the challenges ahead, as well as our activities in releasing software and data to the chemistry community.
ICIC 2013 Conference Proceedings Antony Williams Royal Society of ChemistryDr. Haxel Consult
The Big Data Challenges Associated with Building a National Data Repository for Chemistry
Antony Williams (Royal Society of Chemistry , USA)
At a time when the data explosion has simply been redefined as “Big”, the hurdles associated with building a subject-specific data repository for chemistry are daunting. Combining a multitude of non-standard data formats for chemicals, related properties, reactions, spectra etc., together with the confusion of licensing and embargoing, and providing for data exchange and integration with services and platforms external to the repository, the challenge is significant. This all at a time when semantic technologies are touted as the fundamental technology to enhance integration and discoverability. Funding agencies are demanding change, especially a change towards access to open data to parallel their expectations around Open Access publishing. The Royal Society of Chemistry has been funded by the Engineering and Physical Science Research of the UK to deliver a “chemical database service” for UK scientists. This presentation will provide an overview of the challenges associated with this project and our progress in delivering a chemistry repository capable of handling the complex data types associated with chemistry. The benefits of such a repository in terms of providing data to develop prediction models to further enable scientific discovery will be discussed and the potential impact on the future of scientific publishing will also be examined.
The Royal Society of Chemistry has provided access to data associated with millions of chemical compounds via our ChemSpider database for over 5 years. During this period the richness and complexity of the data has continued to expand dramatically and the original vision for providing an integrated hub for structure-centric data has been delivered across the world to hundreds of thousands of users. With an intention of expanding the reach to cover more diverse aspects of chemistry-related data including compounds, reactions and analytical data, to name just a few data-types, we are in the process of implementing a new architecture to build a Chemistry Data Repository. The data repository will manage the challenges of associated metadata, the various levels of required security (private, shared and public) and exposing the data as appropriate using semantic web technologies. Ultimately this platform will become the host for all chemicals, reactions and analytical data contained within RSC publications and specifically supplementary information. This presentation will report on how our efforts to manage chemistry related data has impacted chemists and projects across the world and will review specifically our contributions to projects involving natural products for collaborators in Brazil and China, for the Open Source Drug Discovery project in India, and our collaborations with scientists in Russia.
Dealing with the complex challenge of managing diverse chemistry data onlineKen Karapetyan
The Royal Society of Chemistry has provided access to data associated with millions of chemical compounds via our ChemSpider database for over 5 years. During this period the richness and complexity of the data has continued to expand dramatically and the original vision for providing an integrated hub for structure-centric data has been delivered across the world to hundreds of thousands of users. With an intention of expanding the reach to cover more diverse aspects of chemistry-related data including compounds, reactions and analytical data, to name just a few data-types, we are in the process of implementing a new architecture to build a Chemistry Data Repository. The data repository will manage the challenges of associated metadata, the various levels of required security (private, shared and public) and exposing the data as appropriate using semantic web technologies. Ultimately this platform will become the host for all chemicals, reactions and analytical data contained within RSC publications and specifically supplementary information. This presentation will report on how our efforts to manage chemistry related data has impacted chemists and projects across the world and will review specifically our contributions to projects involving natural products for collaborators in Brazil and China, for the Open Source Drug Discovery project in India, and our collaborations with scientists in Russia.
ChemSpider – disseminating data and enabling an abundance of chemistry platformsKen Karapetyan
ChemSpider is one of the chemistry community’s primary public compound databases. Containing tens of millions of chemical compounds and its associated data ChemSpider serves data to many tens of websites and software applications at this point. This presentation will provide an overview of the expanding reach of the ChemSpider platform and the nature of solutions that it helps to enable. We will also discuss some of the future directions for the project that are envisaged and how we intend to continue expanding the impact for the platform.
Chemistry online is represented in various ways including publications, presentations, blog posts, wiki-contributions, data depositions, curations and annotations. Encouraging participation from the community to participate in and comment on the information delivered via these various formats would likely provide for a rich dialog exchange in some cases and improved data quality in others. At the Royal Society of Chemistry we have a number of platforms that are amenable to contribution. This presentation will provide an overview of our experiences in engaging the community to interact with our various forms of content and discuss new approaches we are utilizing to encourage crowdsourced participation.
At a time when the data explosion has simply been redefined as “Big”, the hurdles associated with building a subject-specific data repository for chemistry are daunting. Combining a multitude of non-standard data formats for chemicals, related properties, reactions, spectra etc., together with the confusion of licensing and embargoing, and providing for data exchange and integration with services and platforms external to the repository, the challenge is significant. This all at a time when semantic technologies are touted as the fundamental technology to enhance integration and discoverability. Funding agencies are demanding change, especially a change towards access to open data to parallel their expectations around Open Access publishing. The Royal Society of Chemistry has been funded by the Engineering and Physical Science Research of the UK to deliver a “chemical database service” for UK scientists. This presentation will provide an overview of the challenges associated with this project and our progress in delivering a chemistry repository capable of handling the complex data types ssociated with chemistry. The benefits of such a repository in terms of providing data to develop prediction models to further enable scientific discovery will be discussed and the potential impact on the future of scientific publishing will also be examined.
MMEA (The Measurement, Monitoring and Environmental Efficiency Assessment) research program final seminar presentation by Director of Laboratory Tero Eklin, SYKE & Technology Manager Heikki Turtiainen, Vaisala Ltd
Big Data Europe SC6 WS 3: Ron Dekker, Director CESSDA European Open Science A...BigData_Europe
Slides for keynote talk at the Big Data Europe workshop nr 3 on 11.9.2017 in Amsterdam co-located with SEMANTiCS2017 conference by Ron Dekker, Director CESSDA: European Open Science Agenda: where we are and where we are going?
The internet has provided access to unprecedented quantities of data. In the domain of chemistry specifically over the past decade the web has become populated with tens of millions of chemical structures and related properties, both experimental and predicted, together with tens of thousands of spectra and syntheses. The data have, to a large extent, remained disparate and disconnected. In recent years with the wave of Web 2.0 participation any chemist can contribute to both the sharing and validation of chemistry-related data whether it be via Wikipedia, the online encyclopedia, or one of the multiple public compound databases. Toxicologists commonly wish to source data, either for reference purposes, to support the development of models or, when experimental data are not available, predicted data will suffice. This presentation will offer a perspective of the type and quality of chemistry data available today, our experiences of building the ChemSpider public compound database to link together chemistry on the internet and our efforts to both encourage and enable even greater integration and connectivity for chemistry data for the community.
The Climate Tagger - a tagging and recommender service for climate informatio...Martin Kaltenböck
The Climate Tagger - a tagging- and recommender service for climate information based on PoolParty Semantic Suite - slides of the talk by Sukaina Bharwani (Stockholm Environment Institute, SEI Oxford) and Martin Kaltenböck (Semantic Web Company, SWC Vienna) at the Taxonomy Boot Camp London 2016 (TBC London) taking place on 19.10.2016
The phrase “Big Data” is generally used to describe a large volume of structured and/or unstructured data that cannot be processed using traditional database and software techniques. In the domain of chemistry the Royal Society of Chemistry certainly hosts large structured databases of chemistry data, for example ChemSpider, as well as unstructured content, in the form of our collection of scientific articles. Our research literature provides value to their readership and, at present, as an example of one of our databases, ChemSpider is accessed by many tens of thousands of scientists every day. But do these collections constitute “Big Data” or is it the potential which lies within the collections that can contribute to the Big Data movement. This presentation will discuss our activities to contribute both data, and service-based access to our data sets, to support grant-based projects such as the Innovative Medicines Initiative Open PHACTS project (to support drug discovery) and the PharmaSea initiative (to identify novel natural products from the ocean). We will also provide an overview of our activities to perform data mining of public patent collections and examine what can be done with the data. We are presently extracting physicochemical properties and textual forms of NMR spectra and, with the resulting data, are building predictive models (for melting points at present) and assembling a large NMR spectral database containing many hundreds of thousands of spectral-structure pairs. Our experiences to date have demonstrated that we are working at the edge of current algorithmic and computing capabilities for predictive model building, with over a quarter of a million melting points producing a matrix of over 200 billion descriptors. Our work to produce the NMR spectral database will necessitate batch processing of the data to examine consistency between the spectral-structure pairs and other forms of data validation. The intention is to take our experiences in this work applied to a public patents corpus and apply it to the RSC back file of publications to mine data and enable new paths to the discoverability of both data and the associated publications.
Presentation by Stuart Lewis of the University of Edinburgh. It was presented at the LSHTM Research Data Services workshop on June 30th 2015, an event organised to mark the end of LSHTM's Wellcome Trust funded RDM project.
Jean-Claude Bradley had an incredible passion for providing open science tools and data to the community. He had boundless energy, no shortage of ideas and ran so many projects in parallel that it was often difficult to keep up. But at RSC we tried. We provided access to our data, our application programming interfaces and lots of our out-of-hours time to help turn his vision into reality. As a result we helped in the delivery of the SpectralGame to help people learn about NMR and we supported the integration of our services into GoogleDocs underpinning the management and curation of physicochemical property data. We tweaked a number of our services based on JC’s input and as a result we have ended up with a suite of capabilities that serve many of our existing efforts to integrate to electronic lab notebooks and support the ongoing shift towards Open Chemistry. JC was very much ahead of his time….and we were glad to have supported his work. This presentation will give a snapshot of some of the work we did to support his vision.
The U.S. Environmental Protection Agency (EPA) Computational Toxicology Program integrate advances in biology, chemistry, exposure and computer science to help prioritize chemicals for further research based on potential human health risks. This work involves computational and data driven approaches that integrate chemistry, exposure and biological data. As an outcome of these efforts the National Center for Computational Toxicology (NCCT) has measured, assembled and delivered an enormous quantity and diversity of data for the environmental sciences including high-throughput in vitro screening data, legacy in vivo animal data, consumer use and production information, exposure models and chemical structure databases with associated properties. A series of software applications and databases have been produced over the past decade to deliver these data, but recent developments have focused on the development of a new software architecture that assembles the resources into a single platform. Our web application, the CompTox Chemistry Dashboard provides access to data associated with ~750,000 chemical substances. These data include experimental and predicted physicochemical property data, bioassay screening data associated with the ToxCast program, product and functional use information and a myriad of related data of value to environmental scientists.
The dashboard provides chemical-based searching based on chemical names, synonyms and CAS Registry Numbers. Flexible search capabilities allow for chemical identification based on non-targeted analysis studies using mass spectrometry. Chemical identification using both mass and formula-based searching utilizes rank-ordering of results via functional use statistics, thereby providing a solution to help prioritize chemicals for further review when detected in environmental media.
This presentation will provide an overview of the dashboard, its capabilities for delivering data to the environmental chemistry community and how the architecture provides a foundation for the development of additional applications to support chemical risk assessment. This abstract does not reflect U.S. EPA policy.
The Center for Computational Toxicology and Exposure (CCTE) is part of the Office of Research and Development at the US Environmental Protection Agency. As part of its mission the center delivers access to chemicals related data via web-based freely accessible online Dashboards to disseminate data generated within the center as well as harvested and integrated from open databases around the world. The CompTox Chemicals Dashboard (available at https://comptox.epa.gov/dashboard) provides access to >1.2 million chemicals and associated data including experimental and predicted property data, in vivo hazard data, in vitro bioactivity data, exposure data, and various other data types. The curation of the chemicals dataset has included the development of over 400 segregated lists of chemicals that represent specific research areas of interest including disinfectant by-products, per- and polyfluoroalkyl substances (PFAS), extractables and leachables, and chemicals of emerging concern. The chemicals collection, the associated data, the lists and searches for mass and formulae makes the Dashboard an ideal foundation technology to support our colleagues working in the field of mass spectrometry, especially in targeted and non-targeted analysis. This presentation will provide an overview of the Dashboard, its value to the community in terms of providing access to the integrated and highly curated data, and its utility to support researchers in the field of mass spectrometry. New proof-of-concept projects will also be introduced including the development of a cheminformatics enabled methods database. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.
Stuart Macdonald talks about the Research Data Management programme at the University of Edinburgh Data Library, delivered at the ADP Workshop for Librarians: Open Research Data in Social Sciences and Humanities (ADP), Ljubljana, Slovenia, 18 June 2014
Similar to The Global Chemistry Network - driving innovation (20)
A presentation by Professor Tom Welton of Imperial College - given at the Open Science Showcase held by the Royal Society of Chemistry on 26 February 2014.
As a result of the advent of internet technologies supporting participation on the internet via blogs, wikis and other social networking approaches, chemists now have an opportunity to contribute to the growing chemistry content on the web. As scientists an important skill to develop is the ability to succinctly report in a published format the details of scientific experimentation. The Royal Society of Chemistry provides a number of online systems to share chemistry data, the most well known of these being the ChemSpider database. In parallel the ChemSpider SyntheticPages (CSSP) platform is an online publishing platform for scientists, and especially students, to publish the details of chemical syntheses that they have performed. Using the rich capabilities of internet platforms, including the ability to display interactive spectral data and movies, CSSP is an ideal environment for students to publish their work, especially syntheses that might not support mainstream publication.
There is an overwhelming number of new resources for chemistry that would likely benefit both librarians and students in terms of improving access to data and information. While commercial solutions provided by an institution may be the primary resources there is now an enormous range of online tools, databases, resources, apps for mobile devices and, increasingly, wikis. This presentation will provide an overview of how wiki-based resources for scientists are developing and will introduce a number of developing wikis. These include wikis that are being used to teach chemistry to students as well as to source information about scientists, scientific databases and mobile apps.
Utilizing open source software to facilitate communication of chemistry at rscRoyal Society of Chemistry
This is a copy of the RSC-ChemInformatics team's chapter that was contributed to the recently published book: Open source software in life science research: Practical solutions to common challenges in the pharmaceutical industry and beyond (Woodhead Publishing Series in Biomedicine)
The InChI, the International Chemical Identifier, has been the basis of both indexing and deduplication of the ChemSpider database since the inception of the platform. When the InChI was adopted we envisaged a future whereby the identifier would proliferate across journals, databases and the internet in general providing us a basis for “structure searching the internet”. This presentation will provide an overview of how the InChI has facilitated the integration of ChemSpider to chemistry on the internet, some of the surprising findings that have resulted from this work and extrapolate the influence of InChIs into the future for a chemically enabled web.
In recent years, in parallel with the general broad trend of information proliferation, many tens of public chemical databases have been created and made available using internet technologies. In many cases fluent data exchange has occurred between these various databases as they source information from one another. While this has the advantages of linking together multiple data sources the results also include the proliferation of errors across the various databases. The lack of a public authority to resolve such errors significantly affects the quality of freely accessible chemical information. While ChemSpider has previously allowed a crowdsourcing approach to curation efforts have now migrated to addressing this problem using a "federated resolver" approach. This presentation will report on our work in this area.
Slides from the Town Hall Meeting on 29 June in London. The Chemistry Landscape consulatation is open to the chemistry community to establish whether proposals drafted at the town hall meeting are practical, appropiate or robust. Please see http://my.rsc.org/chemistrylandscape for more information.
Comparing Evolved Extractive Text Summary Scores of Bidirectional Encoder Rep...University of Maribor
Slides from:
11th International Conference on Electrical, Electronics and Computer Engineering (IcETRAN), Niš, 3-6 June 2024
Track: Artificial Intelligence
https://www.etran.rs/2024/en/home-english/
Toxic effects of heavy metals : Lead and Arsenicsanjana502982
Heavy metals are naturally occuring metallic chemical elements that have relatively high density, and are toxic at even low concentrations. All toxic metals are termed as heavy metals irrespective of their atomic mass and density, eg. arsenic, lead, mercury, cadmium, thallium, chromium, etc.
Remote Sensing and Computational, Evolutionary, Supercomputing, and Intellige...University of Maribor
Slides from talk:
Aleš Zamuda: Remote Sensing and Computational, Evolutionary, Supercomputing, and Intelligent Systems.
11th International Conference on Electrical, Electronics and Computer Engineering (IcETRAN), Niš, 3-6 June 2024
Inter-Society Networking Panel GRSS/MTT-S/CIS Panel Session: Promoting Connection and Cooperation
https://www.etran.rs/2024/en/home-english/
Richard's aventures in two entangled wonderlandsRichard Gill
Since the loophole-free Bell experiments of 2020 and the Nobel prizes in physics of 2022, critics of Bell's work have retreated to the fortress of super-determinism. Now, super-determinism is a derogatory word - it just means "determinism". Palmer, Hance and Hossenfelder argue that quantum mechanics and determinism are not incompatible, using a sophisticated mathematical construction based on a subtle thinning of allowed states and measurements in quantum mechanics, such that what is left appears to make Bell's argument fail, without altering the empirical predictions of quantum mechanics. I think however that it is a smoke screen, and the slogan "lost in math" comes to my mind. I will discuss some other recent disproofs of Bell's theorem using the language of causality based on causal graphs. Causal thinking is also central to law and justice. I will mention surprising connections to my work on serial killer nurse cases, in particular the Dutch case of Lucia de Berk and the current UK case of Lucy Letby.
Nutraceutical market, scope and growth: Herbal drug technologyLokesh Patil
As consumer awareness of health and wellness rises, the nutraceutical market—which includes goods like functional meals, drinks, and dietary supplements that provide health advantages beyond basic nutrition—is growing significantly. As healthcare expenses rise, the population ages, and people want natural and preventative health solutions more and more, this industry is increasing quickly. Further driving market expansion are product formulation innovations and the use of cutting-edge technology for customized nutrition. With its worldwide reach, the nutraceutical industry is expected to keep growing and provide significant chances for research and investment in a number of categories, including vitamins, minerals, probiotics, and herbal supplements.
The ability to recreate computational results with minimal effort and actionable metrics provides a solid foundation for scientific research and software development. When people can replicate an analysis at the touch of a button using open-source software, open data, and methods to assess and compare proposals, it significantly eases verification of results, engagement with a diverse range of contributors, and progress. However, we have yet to fully achieve this; there are still many sociotechnical frictions.
Inspired by David Donoho's vision, this talk aims to revisit the three crucial pillars of frictionless reproducibility (data sharing, code sharing, and competitive challenges) with the perspective of deep software variability.
Our observation is that multiple layers — hardware, operating systems, third-party libraries, software versions, input data, compile-time options, and parameters — are subject to variability that exacerbates frictions but is also essential for achieving robust, generalizable results and fostering innovation. I will first review the literature, providing evidence of how the complex variability interactions across these layers affect qualitative and quantitative software properties, thereby complicating the reproduction and replication of scientific studies in various fields.
I will then present some software engineering and AI techniques that can support the strategic exploration of variability spaces. These include the use of abstractions and models (e.g., feature models), sampling strategies (e.g., uniform, random), cost-effective measurements (e.g., incremental build of software configurations), and dimensionality reduction methods (e.g., transfer learning, feature selection, software debloating).
I will finally argue that deep variability is both the problem and solution of frictionless reproducibility, calling the software science community to develop new methods and tools to manage variability and foster reproducibility in software systems.
Exposé invité Journées Nationales du GDR GPL 2024
Phenomics assisted breeding in crop improvementIshaGoswami9
As the population is increasing and will reach about 9 billion upto 2050. Also due to climate change, it is difficult to meet the food requirement of such a large population. Facing the challenges presented by resource shortages, climate
change, and increasing global population, crop yield and quality need to be improved in a sustainable way over the coming decades. Genetic improvement by breeding is the best way to increase crop productivity. With the rapid progression of functional
genomics, an increasing number of crop genomes have been sequenced and dozens of genes influencing key agronomic traits have been identified. However, current genome sequence information has not been adequately exploited for understanding
the complex characteristics of multiple gene, owing to a lack of crop phenotypic data. Efficient, automatic, and accurate technologies and platforms that can capture phenotypic data that can
be linked to genomics information for crop improvement at all growth stages have become as important as genotyping. Thus,
high-throughput phenotyping has become the major bottleneck restricting crop breeding. Plant phenomics has been defined as the high-throughput, accurate acquisition and analysis of multi-dimensional phenotypes
during crop growing stages at the organism level, including the cell, tissue, organ, individual plant, plot, and field levels. With the rapid development of novel sensors, imaging technology,
and analysis methods, numerous infrastructure platforms have been developed for phenotyping.
Observation of Io’s Resurfacing via Plume Deposition Using Ground-based Adapt...Sérgio Sacani
Since volcanic activity was first discovered on Io from Voyager images in 1979, changes
on Io’s surface have been monitored from both spacecraft and ground-based telescopes.
Here, we present the highest spatial resolution images of Io ever obtained from a groundbased telescope. These images, acquired by the SHARK-VIS instrument on the Large
Binocular Telescope, show evidence of a major resurfacing event on Io’s trailing hemisphere. When compared to the most recent spacecraft images, the SHARK-VIS images
show that a plume deposit from a powerful eruption at Pillan Patera has covered part
of the long-lived Pele plume deposit. Although this type of resurfacing event may be common on Io, few have been detected due to the rarity of spacecraft visits and the previously low spatial resolution available from Earth-based telescopes. The SHARK-VIS instrument ushers in a new era of high resolution imaging of Io’s surface using adaptive
optics at visible wavelengths.
Salas, V. (2024) "John of St. Thomas (Poinsot) on the Science of Sacred Theol...Studia Poinsotiana
I Introduction
II Subalternation and Theology
III Theology and Dogmatic Declarations
IV The Mixed Principles of Theology
V Virtual Revelation: The Unity of Theology
VI Theology as a Natural Science
VII Theology’s Certitude
VIII Conclusion
Notes
Bibliography
All the contents are fully attributable to the author, Doctor Victor Salas. Should you wish to get this text republished, get in touch with the author or the editorial committee of the Studia Poinsotiana. Insofar as possible, we will be happy to broker your contact.
Professional air quality monitoring systems provide immediate, on-site data for analysis, compliance, and decision-making.
Monitor common gases, weather parameters, particulates.
3. GOVERNMENT
• Data Capability Strategy 31st October 2013
• Build a UK open data capability
• Commercial and academic sectors
• Provide support and increased collaboration
• Driving innovation
• Research Sector Transparency Board
4. THE FUTURE
• Data/content will be open, discoverable and
shared
• Global collaboration far easier and more instant
• New software tools will harvest and exploit data
• Major new repositories of knowledge built
• Openness driving innovation on an
unprecedented scale – knowledge economy
• A global phenomenon
5. OUR VISION
A chemistry repository:
• Structures, spectra….
• Tools
• Models, methods and protocols
• Services
that increases the value and impact of
research outputs
6. GLOBAL CHEMISTRY NETWORK
Support the chemistry community in
research data management
Definitive network for chemical science
information and research collaboration
Repository of rich chemical information
and data with supporting tools
7. • An environment for data…..
- Deposition
- Validation
- Curation
• An environment for…..
- Micropublishing
- Collaboration
- Open innovation
WHAT ARE WE BUILDING?
8. WHAT ARE WE BUILDING?
• Not just deposition – but micropublishing
- Micropublishing or deposition with recognition
- Structures, reactions, spectra… and more – models
protocols, simulations, algorithms, software……
• Integrated to chemistry blogging software and
Electronic Laboratory Notebooks
• Embargo management
• Data objects “DOI’ed” for citation (altmetrics)
9. RECOGNITION AND REWARD
New metrics (Altmetrics), no longer IF alone
– total contribution/impact
Impact
Usage
downloads
page views
Peer
review
expert opinion
Citations Alt-metrics
No. of links
Citable ‘data objects’
Profile interactions
Professional development
10.
11. MICROPUBLISHING
“Micropublish” data and community-built models, algorithms,
simulations…… to support scientific investigation
Ethyl 3-(1-pyrenyl)acrylate (3.02 g, 10.1 mmol) was firstly dissolved in ethyl acetate
(70 ml). Ethanol (70 ml) and the 10% Pd/C (2 mol%) were then added to the mixture
and the air evacuated out the system and replaced with hydrogen. The reaction
was left to stir under a hydrogen balloon at room temperature for 29 hours. The
reaction mixture was then filtered through a pad of celite with ethyl acetate a...
12. “INTELLIGENT CHEMISTRY”
• Small molecules
• Large molecules
• Surfaces and catalysis
• Materials
• Formulations
• Methodologies and processes
• Modelling and computational methods
16. Coming soon this year….
• Registration and deposition service for all types of
data – structures, reactions spectra…..
• Development and launch of the Profile
• Tools – for example, spectra searching
• More communities engaged with the Global
Chemistry Network
• First look at models for sustainability (NCC)
17. COMMUNITY
• ~50,000 members but a global network
of 350,000 chemical scientists
- Offices in Beijing, Shanghai, Philadelphia,
Bangalore, Tokyo, Sao Paulo, Washington
• Community initiatives/partnerships
- NCDS, NCC, Dial-a-Molecule, OSDD…..
19. COMMUNITY
and industry partnerships
• Open PHACTS - EU/Pharma industry pre-
competitive collaboration – semantic data
integration chemistry/biology/pharmacology
• PharmaSea - Deep sea natural products –
novel compound characterisation
• National Compound Collection
20. National Compound Collection
• Immediate engagement with the research
community
• Unlocking lost chemistry/micropublishing
• Working together with industry and the
academic community towards
sustainability in ‘data management’
• Open Innovation
21. THE CHALLENGES
• Skills
• Sustainability
• Standards
• The interfaces: cross-discipline support
• Access to data: fragmentation of resources
into institutional repositories
• Need for “intelligent chemistry”
• What’s in it for me?