Search 10^12 virtual compounds in minutes with a Bayesian model made from 10^6 combinatorial chemistry derived compounds. This work has been published: http://pubs.acs.org/doi/abs/10.1021/ci900072g
This lecture outlines the different strategies for finding a fragment hit and the subsequent elaboration strategies used in order to increase potency to develop a lead compound in drug discovery.
The Application of Non-Combinatorial Chemistry to Lead DiscoveryGraham Smith
The Application of Non-Combinatorial Chemistry to Lead Discovery. The evolution of purified non-combinatorial libraries as the way forward in parallel synthesis. Given at Lab automation 2002 Palm Springs
Enabling HTS Hit follow up via Chemo informatics, File Enrichment, and Outsou...Graham Smith
Enabling HTS Hit follow up via Chemo informatics, File Enrichment, and Outsourcing The history of parallel chemistry for lead discovery at Pfizer Sandwich from begining to outsourcing
This lecture outlines the different strategies for finding a fragment hit and the subsequent elaboration strategies used in order to increase potency to develop a lead compound in drug discovery.
The Application of Non-Combinatorial Chemistry to Lead DiscoveryGraham Smith
The Application of Non-Combinatorial Chemistry to Lead Discovery. The evolution of purified non-combinatorial libraries as the way forward in parallel synthesis. Given at Lab automation 2002 Palm Springs
Enabling HTS Hit follow up via Chemo informatics, File Enrichment, and Outsou...Graham Smith
Enabling HTS Hit follow up via Chemo informatics, File Enrichment, and Outsourcing The history of parallel chemistry for lead discovery at Pfizer Sandwich from begining to outsourcing
DNA and Genes Lab ActivityComplete your answers in the spaces .docxjacksnathalie
DNA and Genes Lab Activity
Complete your answers in the spaces provided. USE YOUR OWN WORDS – Yes even for definitions! Remember to add your last name and first initial to the file name prior to saving and submitting your completed assignment through Canvas.
Use your textbook, notes and these websites to answer the pre lab questions. http://learn.genetics.utah.edu/units/basics/transcribe/http://www.vcbio.science.ru.nl/en/virtuallessons/cellcycle/trans/
Pre Lab Questions:
1. What is the product of transcription?
2. What is the region of DNA called where transcription begins?
3. What is the product of translation?
4. In your own words define each of the following: Silent mutation
Missense mutation Nonsense mutation Frame shift mutation
5. Where in the cell does translation take place?
Click on the link below to access the online lab.
http://www.mhhe.com/biosci/genbio/virtual_labs_2K8/pages/DNA_And_Genes.html
Download and print the instructions for reference as you work through the lab. As you work through the lab fill in the table below. Use this information to answer the questions that follow contained in this document.
First read through the mutation guide. Once you close the guide you will see the buttons to begin the simulation. Note, you will be translating the mRNA strand into a protein.
As you work through each of the mutations fill in the charts below. You must complete 4 mutations for this lab activity. It’s good practice working with the codon table .
– Aris labs calls the codon table the ‘Genetic Code Chart’. Use the amino acid abbreviation for the protein sequence. For example the amino acid proline is abbreviated as pro.
You have to fill in all the letters AND the resulting amino acid sequence by dragging and dropping before you click the [check] button. Abrieviate STOP as either STP or END.
For each of the three mutations you will complete, fill in the table in this lab document with the original mRNA and amino acid sequence and the mRNA sequence and the resulting amino acid sequence RESULTING FROM the mutation as outlined in the mutation rule.
The various mutations represent missense, nonsense, silent and frame shift mutations. You must complete one of each. The lab will not necessarily present the mutations in this order. You must do the mutation and identify which type it is and make sure you do one of each.
6. Frame Shift Mutation example:
Provide the mutation rule you are following.
Original
A. Acids
Original
mRNA
Mutated
mRNA
Mutated
A. Acids
7. Missense Mutation example:
Provide the mutation rule you are following.
Original
A. Acids
Original
mRNA
Mutated
mRNA
Mutated
A. Acids
8. Nonsense Mutation example:
Provide the mutation rule you are following.
Original
A. Acids
Original
mRNA
Mutated
mRNA
Mutated
A. Acids
9. Silent Mutation example:
Pr ...
LamiaFinal data ( results).docx1- label all lanes, label ma.docxDIPESH30
Lamia/Final data ( results).docx
1- label all lanes, label marker sizes, and indicate which three lanes, containing at least one BSA sample and one E. coli sample, you are writing about.
2- lanes 2, 5, 6, 9, and 11 are BSA, lanes 14 and 15 are empty, and lanes 3, 4, 7, 8, 10, 12, and 13 are E. coli.
Lamia/Graphing page.pdf
Lamia/Guidelines.doc
Biology 105 Laboratory Fall 2013
Instructor: Ayça Akal-Strader
Guidelines for Lab Report
Lab 2: Quantification of Protein (Bradford Assay)
Your report for Lab 2: Quantification of Protein (Bradford Assay) is due the week of October 7/8/9/10. Please include the following information in your report:
Hypothesis: as usual
Introduction:
• Background/theory of Bradford Assay
• Purpose of the experiment
Results:
In addition to the specific data discussed below, your Results section should always include one or more paragraphs of text that provide:
• A brief description of the procedure
• Explanations of any charts, graphs, figures, or calculations that are included
• Statements about the most interesting/noteworthy data
Data:
1. Table of measured absorbances (like Table 2 on p. 31).
2. Table showing protein concentrations of unknowns (like Table 3 on p. 31). Say which unknowns—1, 2, or both—you used.
**Please re-make the tables for your report. DO NOT simply tear out p. 31 from your lab manual and staple it to your report.
3. Standard Curve:
• Label with title and caption
• Label axes: x-axis = Concentration (μg/ml); y-axis = Absorbance at 595 nm. Be sure to include units on Concentration. Remember that absorbance (optical density; OD) has no units.
• Plot points, leaving room to plug in your unknown absorbances to find their concentrations
• Connect the dots
(Note: Do NOT draw a straight line—unless your data really looks like a straight line. The samples we measured did not fall into the “linear range” of the spectrophotometer, and everyone’s data that I saw flattened out a lot at the high concentration end of the range. Connect your data points with a curve.)
• Indicate by drawing horizontal and vertical lines how you found the concentration of your unknowns.
Discussion:
• Did your results match your expectations? If not, why not?
• Did you have any difficulty finding the concentration of any of your unknowns?
• Do you think your measurement of protein concentration was accurate? Did your duplicates agree well? For your standards, did your absorbances increase as your protein concentrations increased?
Conclusion: as usual
Lab Report Rewrites
You may rewrite TWO of your first FIVE lab reports in an effort to improve your grade.
You do not need to rewrite the entire report; just fix the problems that caused you to lose points the first time around.
You MUST hand in the original version of your report along with your corrected version. If you do not have the original attached, we will not accept your rewrite.
Your final grade on the rewritten report will be ...
Thanks to a longstanding presence in the market of sdAb development and our well-established screening platform, Creative Biolabs is the right partner to navigate the sdAb screening challenges. Focused on the field of sdAb discovery and development, we will use our skills to offer innovative and sophisticated sdAb screening services tailored to our customer's exact needs.
Semantics for integrated laboratory analytical processes - The Allotrope Pers...OSTHUS
The software environment currently found in the analytical community consists of a patchwork of incompatible software, proprietary and non-standardized file formats,
which is further complicated by incomplete, inconsistent and potentially inaccurate metadata. To overcome these issues, the Allotrope Foundation develops a
comprehensive and innovative Framework consisting of metadata dictionaries, data standards, and class libraries for managing analytical data throughout its lifecycle. The
talk describes how laboratory data and their semantic metadata descriptions are brought together to ease the management of vast amount of data that underpin almost
every aspect of drug discovery and development.
ChemSpider is an online database of over 20 million chemical structures assembled from well over a hundred data sources including chemical and screening library vendors, publicly accessible databases and resources, commercial databases and Open Access literature articles. Such a public resource provides a rich source of ligands for the purpose of virtual screening experiments. These can take many forms. This work will present results from two specific types of studies: 1) Quantitative Structure Activity Relationship (QSAR) based analyses and 2) In-silico docking into protein receptor sites. We will review results from the application of both approaches to a number of specific examples. QSAR analyses utilizing the ChemModLab environment for assessing quantitative structure-activity relationships will and screening using a molecular surface descriptor model.
Phage Display Screening for Single Domain Antibody (sdAb)ShawVivian
Phage display screening(https://www.creative-biolabs.com/sdab/phage-display-screening-for-single-domain-antibody-sdab.htm) is a well-established technique to identify antibody fragments and other binding molecules against any targets of interest. As each clone in phage display libraries represents a noncombinatorial functional domain of a naturally circulating antibody, phage display screening is a powerful method for sdAb discovery. Here, Creative Biolabs describes the phage display screening for sdAb generation.
Single domain antibodies (sdAbs, or VHH) are the smallest antigen-binding units of antibodies, comprising either one variable domain or one engineered constant domain that solely facilitates target binding. They are popular as a novel class of proprietary therapeutic proteins containing unique structural and functional properties. At Creative Biolabs, we offer one-stop solutions for sdAb development and characterization to promote the identification of novel therapeutic sdAbs to meet your specific project demands.
https://www.creative-biolabs.com/sdab/sdab-functional-identification.htm
Single Domain Antibody also known as domain antibody, VHH, VNARor sdAb, is a kind of antibody fragments consisting of a single monomeric variable antibody domain and lacking the light chain and CH domain of the heavy chain in conventional Fab region.https://www.creative-biolabs.com/sdab/one-stop-solution-for-sdab-development.htm
BIO 1030, Principles of Biology 1 Course Description .docxAASTHA76
BIO 1030, Principles of Biology 1
Course Description
Principles of Biology contains an introduction to all major areas of general biology. The relevance and contribution of this
discipline to business, health care, policy creation, and other sciences is highlighted in this course.
Course Textbook
Krogh, D. (2014). Biology: A guide to the natural world (5th ed., Technology update). Upper Saddle River, NJ:
Pearson.
Course Learning Outcomes
Upon completion of this course, students should be able to:
1. Evaluate concepts and theories of basic biological sciences, including the scientific method, cellular processes,
heredity, and biodiversity.
2. Generate logical interpretations and conclusions based on various representations of scientific data.
3. Examine the basic properties of living organisms, to include the categorization of life.
4. Explain various chemical processes within living organisms.
5. Analyze the fundamental structure and function of the cell.
6. Compare and contrast the phases of mitosis and meiosis.
7. Predict genotypes based on patterns of heredity and pedigree information.
8. Examine macromolecules to include synthesis, structure, and function.
9. Relate biological concepts to current real-world issues and technology.
Academic Integrity
Honesty and integrity are taken very seriously at Waldorf University. All students should be familiar with the Waldorf
University Academic Integrity Policy (found in the current Student Handbook) and the consequences that will result from
breaches of this policy.
Credits
Upon completion of this course, the students will earn three (3) hours of college credit.
Course Structure
1. Study Guide: Each unit contains a Study Guide that provides students with the learning outcomes, unit lesson,
required reading assignments, and supplemental resources.
2. Learning Outcomes: Each unit contains Learning Outcomes that specify the measurable skills and knowledge
students should gain upon completion of the unit.
3. Unit Lesson: Each unit contains a Unit Lesson, which discusses lesson material.
4. Reading Assignments: Each unit contains Reading Assignments from one or more chapters from the textbook
and/or outside resources.
5. Suggested Reading: Suggested Readings are listed in Units I-VII. Students are encouraged to read the
resources listed if the opportunity arises, but they will not be tested on their knowledge of the Suggested
Readings.
BIO 1030, Principles of Biology
Course Syllabus
BIO 1030, Principles of Biology 2
6. Learning Activities (Non-Graded): These non-graded Learning Activities are provided to aid students in their
course of study.
7. Discussion Boards: Discussion Boards are part of all Waldorf term courses. More information and specifications
can be found in the Student Resources link listed in the Course Menu bar.
8. Unit Assessments: This course contains six Unit Assessments, one to be comple ...
The Royal Society of Chemistry (RSC) is a major participant in providing access to chemistry related data via the web. As an internationally renowned society for the chemical sciences, a scientific publisher and the host of the ChemSpider database for the community, RSC continues to make dramatic strides in providing online access to data. ChemSpider provides access to over 30 million chemicals sourced from over 500 data suppliers and linked out to related information on the web. The platform is a crowdsourcing environment whereby members of the community can participate in validating and expanding the content of the database. With a set of application programming interfaces ChemSpider is used by various organizations and projects to serve up data for various purposes. These include structure identification for mass spectrometry instrument vendors, RSC databases such as the Marinlit natural products database and a European grant-based project from the Innovative Medicines Initiative fund. This presentation will provide an overview of various cheminformatics activities and projects that RSC is involved with to serve the medicinal chemistry community. This will include the Open PHACTS semantic web project, the PharmaSea project to identify new pharmaceutical leads from the ocean and the UK National Compound Collection to identify new lead compounds contained within PhD theses.
Next-Gen Drug Discovery: An Integrated Micro-Droplet Based PlatformLaura Berry
Presented at the Global Medicinal Chemistry and GPCR Summit. To find out more, visit:
www.global-engage.com
Alexander Alanine, CEO of Bacteva, introduces the Totally Integrated Medicines Engine (TIME), designed to speed up drug discovery with integrated microfluidics.
Transcript: Selling digital books in 2024: Insights from industry leaders - T...BookNet Canada
The publishing industry has been selling digital audiobooks and ebooks for over a decade and has found its groove. What’s changed? What has stayed the same? Where do we go from here? Join a group of leading sales peers from across the industry for a conversation about the lessons learned since the popularization of digital books, best practices, digital book supply chain management, and more.
Link to video recording: https://bnctechforum.ca/sessions/selling-digital-books-in-2024-insights-from-industry-leaders/
Presented by BookNet Canada on May 28, 2024, with support from the Department of Canadian Heritage.
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DNA and Genes Lab ActivityComplete your answers in the spaces .docxjacksnathalie
DNA and Genes Lab Activity
Complete your answers in the spaces provided. USE YOUR OWN WORDS – Yes even for definitions! Remember to add your last name and first initial to the file name prior to saving and submitting your completed assignment through Canvas.
Use your textbook, notes and these websites to answer the pre lab questions. http://learn.genetics.utah.edu/units/basics/transcribe/http://www.vcbio.science.ru.nl/en/virtuallessons/cellcycle/trans/
Pre Lab Questions:
1. What is the product of transcription?
2. What is the region of DNA called where transcription begins?
3. What is the product of translation?
4. In your own words define each of the following: Silent mutation
Missense mutation Nonsense mutation Frame shift mutation
5. Where in the cell does translation take place?
Click on the link below to access the online lab.
http://www.mhhe.com/biosci/genbio/virtual_labs_2K8/pages/DNA_And_Genes.html
Download and print the instructions for reference as you work through the lab. As you work through the lab fill in the table below. Use this information to answer the questions that follow contained in this document.
First read through the mutation guide. Once you close the guide you will see the buttons to begin the simulation. Note, you will be translating the mRNA strand into a protein.
As you work through each of the mutations fill in the charts below. You must complete 4 mutations for this lab activity. It’s good practice working with the codon table .
– Aris labs calls the codon table the ‘Genetic Code Chart’. Use the amino acid abbreviation for the protein sequence. For example the amino acid proline is abbreviated as pro.
You have to fill in all the letters AND the resulting amino acid sequence by dragging and dropping before you click the [check] button. Abrieviate STOP as either STP or END.
For each of the three mutations you will complete, fill in the table in this lab document with the original mRNA and amino acid sequence and the mRNA sequence and the resulting amino acid sequence RESULTING FROM the mutation as outlined in the mutation rule.
The various mutations represent missense, nonsense, silent and frame shift mutations. You must complete one of each. The lab will not necessarily present the mutations in this order. You must do the mutation and identify which type it is and make sure you do one of each.
6. Frame Shift Mutation example:
Provide the mutation rule you are following.
Original
A. Acids
Original
mRNA
Mutated
mRNA
Mutated
A. Acids
7. Missense Mutation example:
Provide the mutation rule you are following.
Original
A. Acids
Original
mRNA
Mutated
mRNA
Mutated
A. Acids
8. Nonsense Mutation example:
Provide the mutation rule you are following.
Original
A. Acids
Original
mRNA
Mutated
mRNA
Mutated
A. Acids
9. Silent Mutation example:
Pr ...
LamiaFinal data ( results).docx1- label all lanes, label ma.docxDIPESH30
Lamia/Final data ( results).docx
1- label all lanes, label marker sizes, and indicate which three lanes, containing at least one BSA sample and one E. coli sample, you are writing about.
2- lanes 2, 5, 6, 9, and 11 are BSA, lanes 14 and 15 are empty, and lanes 3, 4, 7, 8, 10, 12, and 13 are E. coli.
Lamia/Graphing page.pdf
Lamia/Guidelines.doc
Biology 105 Laboratory Fall 2013
Instructor: Ayça Akal-Strader
Guidelines for Lab Report
Lab 2: Quantification of Protein (Bradford Assay)
Your report for Lab 2: Quantification of Protein (Bradford Assay) is due the week of October 7/8/9/10. Please include the following information in your report:
Hypothesis: as usual
Introduction:
• Background/theory of Bradford Assay
• Purpose of the experiment
Results:
In addition to the specific data discussed below, your Results section should always include one or more paragraphs of text that provide:
• A brief description of the procedure
• Explanations of any charts, graphs, figures, or calculations that are included
• Statements about the most interesting/noteworthy data
Data:
1. Table of measured absorbances (like Table 2 on p. 31).
2. Table showing protein concentrations of unknowns (like Table 3 on p. 31). Say which unknowns—1, 2, or both—you used.
**Please re-make the tables for your report. DO NOT simply tear out p. 31 from your lab manual and staple it to your report.
3. Standard Curve:
• Label with title and caption
• Label axes: x-axis = Concentration (μg/ml); y-axis = Absorbance at 595 nm. Be sure to include units on Concentration. Remember that absorbance (optical density; OD) has no units.
• Plot points, leaving room to plug in your unknown absorbances to find their concentrations
• Connect the dots
(Note: Do NOT draw a straight line—unless your data really looks like a straight line. The samples we measured did not fall into the “linear range” of the spectrophotometer, and everyone’s data that I saw flattened out a lot at the high concentration end of the range. Connect your data points with a curve.)
• Indicate by drawing horizontal and vertical lines how you found the concentration of your unknowns.
Discussion:
• Did your results match your expectations? If not, why not?
• Did you have any difficulty finding the concentration of any of your unknowns?
• Do you think your measurement of protein concentration was accurate? Did your duplicates agree well? For your standards, did your absorbances increase as your protein concentrations increased?
Conclusion: as usual
Lab Report Rewrites
You may rewrite TWO of your first FIVE lab reports in an effort to improve your grade.
You do not need to rewrite the entire report; just fix the problems that caused you to lose points the first time around.
You MUST hand in the original version of your report along with your corrected version. If you do not have the original attached, we will not accept your rewrite.
Your final grade on the rewritten report will be ...
Thanks to a longstanding presence in the market of sdAb development and our well-established screening platform, Creative Biolabs is the right partner to navigate the sdAb screening challenges. Focused on the field of sdAb discovery and development, we will use our skills to offer innovative and sophisticated sdAb screening services tailored to our customer's exact needs.
Semantics for integrated laboratory analytical processes - The Allotrope Pers...OSTHUS
The software environment currently found in the analytical community consists of a patchwork of incompatible software, proprietary and non-standardized file formats,
which is further complicated by incomplete, inconsistent and potentially inaccurate metadata. To overcome these issues, the Allotrope Foundation develops a
comprehensive and innovative Framework consisting of metadata dictionaries, data standards, and class libraries for managing analytical data throughout its lifecycle. The
talk describes how laboratory data and their semantic metadata descriptions are brought together to ease the management of vast amount of data that underpin almost
every aspect of drug discovery and development.
ChemSpider is an online database of over 20 million chemical structures assembled from well over a hundred data sources including chemical and screening library vendors, publicly accessible databases and resources, commercial databases and Open Access literature articles. Such a public resource provides a rich source of ligands for the purpose of virtual screening experiments. These can take many forms. This work will present results from two specific types of studies: 1) Quantitative Structure Activity Relationship (QSAR) based analyses and 2) In-silico docking into protein receptor sites. We will review results from the application of both approaches to a number of specific examples. QSAR analyses utilizing the ChemModLab environment for assessing quantitative structure-activity relationships will and screening using a molecular surface descriptor model.
Phage Display Screening for Single Domain Antibody (sdAb)ShawVivian
Phage display screening(https://www.creative-biolabs.com/sdab/phage-display-screening-for-single-domain-antibody-sdab.htm) is a well-established technique to identify antibody fragments and other binding molecules against any targets of interest. As each clone in phage display libraries represents a noncombinatorial functional domain of a naturally circulating antibody, phage display screening is a powerful method for sdAb discovery. Here, Creative Biolabs describes the phage display screening for sdAb generation.
Single domain antibodies (sdAbs, or VHH) are the smallest antigen-binding units of antibodies, comprising either one variable domain or one engineered constant domain that solely facilitates target binding. They are popular as a novel class of proprietary therapeutic proteins containing unique structural and functional properties. At Creative Biolabs, we offer one-stop solutions for sdAb development and characterization to promote the identification of novel therapeutic sdAbs to meet your specific project demands.
https://www.creative-biolabs.com/sdab/sdab-functional-identification.htm
Single Domain Antibody also known as domain antibody, VHH, VNARor sdAb, is a kind of antibody fragments consisting of a single monomeric variable antibody domain and lacking the light chain and CH domain of the heavy chain in conventional Fab region.https://www.creative-biolabs.com/sdab/one-stop-solution-for-sdab-development.htm
BIO 1030, Principles of Biology 1 Course Description .docxAASTHA76
BIO 1030, Principles of Biology 1
Course Description
Principles of Biology contains an introduction to all major areas of general biology. The relevance and contribution of this
discipline to business, health care, policy creation, and other sciences is highlighted in this course.
Course Textbook
Krogh, D. (2014). Biology: A guide to the natural world (5th ed., Technology update). Upper Saddle River, NJ:
Pearson.
Course Learning Outcomes
Upon completion of this course, students should be able to:
1. Evaluate concepts and theories of basic biological sciences, including the scientific method, cellular processes,
heredity, and biodiversity.
2. Generate logical interpretations and conclusions based on various representations of scientific data.
3. Examine the basic properties of living organisms, to include the categorization of life.
4. Explain various chemical processes within living organisms.
5. Analyze the fundamental structure and function of the cell.
6. Compare and contrast the phases of mitosis and meiosis.
7. Predict genotypes based on patterns of heredity and pedigree information.
8. Examine macromolecules to include synthesis, structure, and function.
9. Relate biological concepts to current real-world issues and technology.
Academic Integrity
Honesty and integrity are taken very seriously at Waldorf University. All students should be familiar with the Waldorf
University Academic Integrity Policy (found in the current Student Handbook) and the consequences that will result from
breaches of this policy.
Credits
Upon completion of this course, the students will earn three (3) hours of college credit.
Course Structure
1. Study Guide: Each unit contains a Study Guide that provides students with the learning outcomes, unit lesson,
required reading assignments, and supplemental resources.
2. Learning Outcomes: Each unit contains Learning Outcomes that specify the measurable skills and knowledge
students should gain upon completion of the unit.
3. Unit Lesson: Each unit contains a Unit Lesson, which discusses lesson material.
4. Reading Assignments: Each unit contains Reading Assignments from one or more chapters from the textbook
and/or outside resources.
5. Suggested Reading: Suggested Readings are listed in Units I-VII. Students are encouraged to read the
resources listed if the opportunity arises, but they will not be tested on their knowledge of the Suggested
Readings.
BIO 1030, Principles of Biology
Course Syllabus
BIO 1030, Principles of Biology 2
6. Learning Activities (Non-Graded): These non-graded Learning Activities are provided to aid students in their
course of study.
7. Discussion Boards: Discussion Boards are part of all Waldorf term courses. More information and specifications
can be found in the Student Resources link listed in the Course Menu bar.
8. Unit Assessments: This course contains six Unit Assessments, one to be comple ...
The Royal Society of Chemistry (RSC) is a major participant in providing access to chemistry related data via the web. As an internationally renowned society for the chemical sciences, a scientific publisher and the host of the ChemSpider database for the community, RSC continues to make dramatic strides in providing online access to data. ChemSpider provides access to over 30 million chemicals sourced from over 500 data suppliers and linked out to related information on the web. The platform is a crowdsourcing environment whereby members of the community can participate in validating and expanding the content of the database. With a set of application programming interfaces ChemSpider is used by various organizations and projects to serve up data for various purposes. These include structure identification for mass spectrometry instrument vendors, RSC databases such as the Marinlit natural products database and a European grant-based project from the Innovative Medicines Initiative fund. This presentation will provide an overview of various cheminformatics activities and projects that RSC is involved with to serve the medicinal chemistry community. This will include the Open PHACTS semantic web project, the PharmaSea project to identify new pharmaceutical leads from the ocean and the UK National Compound Collection to identify new lead compounds contained within PhD theses.
Next-Gen Drug Discovery: An Integrated Micro-Droplet Based PlatformLaura Berry
Presented at the Global Medicinal Chemistry and GPCR Summit. To find out more, visit:
www.global-engage.com
Alexander Alanine, CEO of Bacteva, introduces the Totally Integrated Medicines Engine (TIME), designed to speed up drug discovery with integrated microfluidics.
Transcript: Selling digital books in 2024: Insights from industry leaders - T...BookNet Canada
The publishing industry has been selling digital audiobooks and ebooks for over a decade and has found its groove. What’s changed? What has stayed the same? Where do we go from here? Join a group of leading sales peers from across the industry for a conversation about the lessons learned since the popularization of digital books, best practices, digital book supply chain management, and more.
Link to video recording: https://bnctechforum.ca/sessions/selling-digital-books-in-2024-insights-from-industry-leaders/
Presented by BookNet Canada on May 28, 2024, with support from the Department of Canadian Heritage.
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- A fully editable and extendable library for grid component modelling;
- Visualization tools to display your network;
- Grid simulation tools, such as power flows, security analyses (with or without remedial actions) and sensitivity analyses;
The framework is mostly written in Java, with a Python binding so that Python developers can access PowSyBl functionalities as well.
What you will learn during the webinar:
- For beginners: discover PowSyBl's functionalities through a quick general presentation and the notebook, without needing any expert coding skills;
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While the dev and ops silo continues to crumble….many organizations still relegate monitoring & observability as the purview of ops, infra and SRE teams. This is a mistake - achieving a highly observable system requires collaboration up and down the stack.
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The software team must secure its software delivery process to avoid vulnerability and security breaches. This needs to be achieved with existing tool chains and without extensive rework of the delivery processes. This talk will present strategies and techniques for providing visibility into the true risk of the existing vulnerabilities, preventing the introduction of security issues in the software, resolving vulnerabilities in production environments quickly, and capturing the deployment bill of materials (DBOM).
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Robert Boule is a technology enthusiast with PASSION for technology and making things work along with a knack for helping others understand how things work. He comes with around 20 years of solution engineering experience in application security, software continuous delivery, and SaaS platforms. He is known for his dynamic presentations in CI/CD and application security integrated in software delivery lifecycle.
Gopinath Rebala
Gopinath Rebala is the CTO of OpsMx, where he has overall responsibility for the machine learning and data processing architectures for Secure Software Delivery. Gopi also has a strong connection with our customers, leading design and architecture for strategic implementations. Gopi is a frequent speaker and well-known leader in continuous delivery and integrating security into software delivery.
State of ICS and IoT Cyber Threat Landscape Report 2024 previewPrayukth K V
The IoT and OT threat landscape report has been prepared by the Threat Research Team at Sectrio using data from Sectrio, cyber threat intelligence farming facilities spread across over 85 cities around the world. In addition, Sectrio also runs AI-based advanced threat and payload engagement facilities that serve as sinks to attract and engage sophisticated threat actors, and newer malware including new variants and latent threats that are at an earlier stage of development.
The latest edition of the OT/ICS and IoT security Threat Landscape Report 2024 also covers:
State of global ICS asset and network exposure
Sectoral targets and attacks as well as the cost of ransom
Global APT activity, AI usage, actor and tactic profiles, and implications
Rise in volumes of AI-powered cyberattacks
Major cyber events in 2024
Malware and malicious payload trends
Cyberattack types and targets
Vulnerability exploit attempts on CVEs
Attacks on counties – USA
Expansion of bot farms – how, where, and why
In-depth analysis of the cyber threat landscape across North America, South America, Europe, APAC, and the Middle East
Why are attacks on smart factories rising?
Cyber risk predictions
Axis of attacks – Europe
Systemic attacks in the Middle East
Download the full report from here:
https://sectrio.com/resources/ot-threat-landscape-reports/sectrio-releases-ot-ics-and-iot-security-threat-landscape-report-2024/
zkStudyClub - Reef: Fast Succinct Non-Interactive Zero-Knowledge Regex ProofsAlex Pruden
This paper presents Reef, a system for generating publicly verifiable succinct non-interactive zero-knowledge proofs that a committed document matches or does not match a regular expression. We describe applications such as proving the strength of passwords, the provenance of email despite redactions, the validity of oblivious DNS queries, and the existence of mutations in DNA. Reef supports the Perl Compatible Regular Expression syntax, including wildcards, alternation, ranges, capture groups, Kleene star, negations, and lookarounds. Reef introduces a new type of automata, Skipping Alternating Finite Automata (SAFA), that skips irrelevant parts of a document when producing proofs without undermining soundness, and instantiates SAFA with a lookup argument. Our experimental evaluation confirms that Reef can generate proofs for documents with 32M characters; the proofs are small and cheap to verify (under a second).
Paper: https://eprint.iacr.org/2023/1886
Elevating Tactical DDD Patterns Through Object CalisthenicsDorra BARTAGUIZ
After immersing yourself in the blue book and its red counterpart, attending DDD-focused conferences, and applying tactical patterns, you're left with a crucial question: How do I ensure my design is effective? Tactical patterns within Domain-Driven Design (DDD) serve as guiding principles for creating clear and manageable domain models. However, achieving success with these patterns requires additional guidance. Interestingly, we've observed that a set of constraints initially designed for training purposes remarkably aligns with effective pattern implementation, offering a more ‘mechanical’ approach. Let's explore together how Object Calisthenics can elevate the design of your tactical DDD patterns, offering concrete help for those venturing into DDD for the first time!
Dev Dives: Train smarter, not harder – active learning and UiPath LLMs for do...UiPathCommunity
💥 Speed, accuracy, and scaling – discover the superpowers of GenAI in action with UiPath Document Understanding and Communications Mining™:
See how to accelerate model training and optimize model performance with active learning
Learn about the latest enhancements to out-of-the-box document processing – with little to no training required
Get an exclusive demo of the new family of UiPath LLMs – GenAI models specialized for processing different types of documents and messages
This is a hands-on session specifically designed for automation developers and AI enthusiasts seeking to enhance their knowledge in leveraging the latest intelligent document processing capabilities offered by UiPath.
Speakers:
👨🏫 Andras Palfi, Senior Product Manager, UiPath
👩🏫 Lenka Dulovicova, Product Program Manager, UiPath
Epistemic Interaction - tuning interfaces to provide information for AI supportAlan Dix
Paper presented at SYNERGY workshop at AVI 2024, Genoa, Italy. 3rd June 2024
https://alandix.com/academic/papers/synergy2024-epistemic/
As machine learning integrates deeper into human-computer interactions, the concept of epistemic interaction emerges, aiming to refine these interactions to enhance system adaptability. This approach encourages minor, intentional adjustments in user behaviour to enrich the data available for system learning. This paper introduces epistemic interaction within the context of human-system communication, illustrating how deliberate interaction design can improve system understanding and adaptation. Through concrete examples, we demonstrate the potential of epistemic interaction to significantly advance human-computer interaction by leveraging intuitive human communication strategies to inform system design and functionality, offering a novel pathway for enriching user-system engagements.
By Design, not by Accident - Agile Venture Bolzano 2024
Exploring virtual compound space with Bayesian statistics
1. Exploring virtual compound space with Bayesian statistics Willem P van Hoorn Chemistry Pfizer Global Research and Development Sandwich UK [email_address] Pipeline Pilot UGM, San Diego, Mar 2007
14. Random test set Exclude singleton library O(6) Random x%: 9452 Top 5 predicted library ID compared with real library ID V1 9411, 99.6% Found in top 5 41 , 0.4% 9068, 96% 9452 Not in top 5 Found in top 1 Test set
15. 41 compounds with correct library not in top 5 PF-A Internal Library 1 349 -29.0651987519029 Another PF number Internal Library 2 243 -13.3644982689003 Another PF number Internal Library 3 69 -0.400118961865439 Another PF number Internal Library 4 63 0.614583090788282 Another PF number Internal Library 1 53 -0.13987606970494 Another PF number Internal Library 5 50 -7.32271642948761 Another PF number Internal Library 1 35 3.41709994966454 Another PF number Internal Library 3 22 9.57829190295786 Another PF number Internal Library 1 22 10.0504136444794 Another PF number External Library 1 20 22.8956131731457 Another PF number External Library 2 19 18.8320528385981 Another PF number Internal Library 3 15 12.1074842056827 Another PF number Internal Library 1 14 54.6179465790837 Another PF number Internal Library 3 13 16.6244027916311 Another PF number Internal Library 1 12 6.74173586963795 Another PF number Internal Library 1 12 17.0964105412622 Another PF number Internal Library 1 11 58.7994305333701 Another PF number External Library 3 10 58.2193181435516 Another PF number Internal Library 1 10 12.5102031415206 Another PF number Internal Library 6 9 19.4093857882624 Another PF number Internal Library 1 8 20.6383651456158 Another PF number External Library 3 8 73.0633503114444 Another PF number External Library 4 8 18.5429747446516 Another PF number Internal Library 1 8 36.9730841061725 Another PF number Internal Library 1 7 34.8859762378176 Another PF number Internal Library 3 7 17.3617539873978 Another PF number Internal Library 1 7 30.8582847036755 Another PF number Internal Library 1 7 41.848859585633 Another PF number External Library 5 7 25.8587564812026 Another PF number External Library 6 6 33.5395919145182 Another PF number External Library 7 6 39.9074521984672 Another PF number External Library 8 6 32.3248563198852 Another PF number External Library 9 6 23.9421542596281 Another PF number External Library 10 6 95.1965176091739 Another PF number Internal Library 1 6 53.8715604224809 Another PF number Internal Library 1 6 28.2709230508615 Another PF number Internal Library 1 6 48.1827060771728 Another PF number Internal Library 1 6 17.7689907755174 Another PF number Internal Library 7 6 57.5694207876578 Another PF number Internal Library 7 6 53.9529913359943 Another PF number Internal Library 7 6 56.184768481901 compound_ID correct library_id ranked_as Bayesian score
16. PF-A Amide formation Monomer 2 Monomer 1 + No registration error Worst mispredicted: PF-A General remark: in-house libraries have broad scope, therefore harder to predict Internal library 1 29,800 compounds registered, monomers known for 28,670 120 of these contain Monomer 1, but only 1 compound contains Monomer 2: PF-A is atypical product
17.
18.
19. Recall of known library id as function of model Exclude singleton library O(6) Random x%: 9452 Top 5 predicted library ID compared with real library ID 205, 2.2% 9247, 97.8% 5692, 60% ECFP_Enrichment 85, 0.9% 9367, 99.1% 8920, 94% FCFP 13, 0.1% 9439, 99.9% 8372, 89% ECFP_EstPGood 108, 1.1% 9344, 98.9% 6093, 64% FCFP_Enrichment 9441, 99.9% 9411, 99.6% Found in top 5 11, 0.1% 8547, 90% FCFP_EstPGood 41, 0.4% 9068, 96% ECFP Not in top 5 Found in top 1 Model Test set
23. Probe is highlighted by what each library recognises 1. Singleton 2. In-house 1 3. In-house 2 4. External 1 5. External 2 6. External 3 7. External 4 8. External 5 9. External 6 10. External 7 11. External 8 12. External 9 13. External 10 14. External 11 15. External 12 16. External 13 In-house 2 yields compounds similar to left hand site of probe In-house 1 yields compounds similar to right hand site of probe
28. Pfizer solids and vendor compounds have been mapped to libraries 7 unmapped libraries 6 unmapped libraries O(5) solid samples for which no liquid sample is available O(4) O(5) O(6) structures from ChemNavigator not in Pfizer files Singleton Singleton