RSC-CICAG
@rsc-cicag.bsky.social
RSC-CICAG (Royal Society of Chemistry Chemical Information & Computer Applications Group) is one of the RSC’s member-led Interest Groups. If you have questions talk to us on LinkedIn: https://www.linkedin.com/company/rsc-cicag/
https://www.rsccicag.org/
https://www.rsccicag.org/
Do you want to learn about the value of good data management? Join our guest speakers for the third ChemSpider webinar in a new series where they will share their thoughts about data management, which tools to use, what standards to follow and how to get everyone involved. Register ▶️ rsc.li/3X1Ouag
November 14, 2025 at 3:48 PM
Do you want to learn about the value of good data management? Join our guest speakers for the third ChemSpider webinar in a new series where they will share their thoughts about data management, which tools to use, what standards to follow and how to get everyone involved. Register ▶️ rsc.li/3X1Ouag
This book provides a comprehensive guide to the implementation of DNA-encoded library technology (DELT) in drug discovery for screening and hit validation, illustrated with successful case studies.
November 13, 2025 at 1:10 PM
This book provides a comprehensive guide to the implementation of DNA-encoded library technology (DELT) in drug discovery for screening and hit validation, illustrated with successful case studies.
Contribution from Nessa Carson, Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield, UK
Full piece (pg:45): www.rsccicag.org/index_htm_fi...
Full piece (pg:45): www.rsccicag.org/index_htm_fi...
November 10, 2025 at 2:00 PM
Contribution from Nessa Carson, Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield, UK
Full piece (pg:45): www.rsccicag.org/index_htm_fi...
Full piece (pg:45): www.rsccicag.org/index_htm_fi...
🎄🔥 It’s Beginning to Look a Lot Like Data! 🔥🎄
RSC-CICAG is whipping up a Christmas Cookbook, and we need your FAIR-est recipes! 🍰
Think your metadata mince pies or controlled vocabulary casseroles can make the cut? We want the festive flavours that even Santa’s ELN would approve of!
RSC-CICAG is whipping up a Christmas Cookbook, and we need your FAIR-est recipes! 🍰
Think your metadata mince pies or controlled vocabulary casseroles can make the cut? We want the festive flavours that even Santa’s ELN would approve of!
November 4, 2025 at 12:01 PM
🎄🔥 It’s Beginning to Look a Lot Like Data! 🔥🎄
RSC-CICAG is whipping up a Christmas Cookbook, and we need your FAIR-est recipes! 🍰
Think your metadata mince pies or controlled vocabulary casseroles can make the cut? We want the festive flavours that even Santa’s ELN would approve of!
RSC-CICAG is whipping up a Christmas Cookbook, and we need your FAIR-est recipes! 🍰
Think your metadata mince pies or controlled vocabulary casseroles can make the cut? We want the festive flavours that even Santa’s ELN would approve of!
The Royal Society of Chemistry Research Fund supports members with limited access to research funds to start new projects.
The fund is now open for applications until 1 December 2025 1400 UK time (GMT).
Apply for up to £5000: www.rsc.org/funding-and-...
The fund is now open for applications until 1 December 2025 1400 UK time (GMT).
Apply for up to £5000: www.rsc.org/funding-and-...
October 31, 2025 at 10:09 AM
The Royal Society of Chemistry Research Fund supports members with limited access to research funds to start new projects.
The fund is now open for applications until 1 December 2025 1400 UK time (GMT).
Apply for up to £5000: www.rsc.org/funding-and-...
The fund is now open for applications until 1 December 2025 1400 UK time (GMT).
Apply for up to £5000: www.rsc.org/funding-and-...
The RSC BMCS Hot Topics online meetings are intended to highlight breaking areas of research in fields of science relevant to drug discovery.
They will run as stand-alone half-day virtual events, 2-3 times per year.
They will run as stand-alone half-day virtual events, 2-3 times per year.
October 29, 2025 at 4:32 PM
The RSC BMCS Hot Topics online meetings are intended to highlight breaking areas of research in fields of science relevant to drug discovery.
They will run as stand-alone half-day virtual events, 2-3 times per year.
They will run as stand-alone half-day virtual events, 2-3 times per year.
Publication by: Michael Blakey., Samantha Pearman-Kanza, and Jeremy Frey
📋 Wiswesser Line Notation (WLN) is an early chemical encoding system now superseded by SMILES and InChI.
📋 Wiswesser Line Notation (WLN) is an early chemical encoding system now superseded by SMILES and InChI.
October 27, 2025 at 1:02 PM
Publication by: Michael Blakey., Samantha Pearman-Kanza, and Jeremy Frey
📋 Wiswesser Line Notation (WLN) is an early chemical encoding system now superseded by SMILES and InChI.
📋 Wiswesser Line Notation (WLN) is an early chemical encoding system now superseded by SMILES and InChI.
In recognition of her pioneering research in chemical structure analysis, visionary educational leadership, and enduring dedication to advancing scientific collaboration, Professor Val Gillet has been awarded the 2025 Mike Lynch Award by the Trustees of the Chemical Structure Association Trust.
October 24, 2025 at 2:00 PM
In recognition of her pioneering research in chemical structure analysis, visionary educational leadership, and enduring dedication to advancing scientific collaboration, Professor Val Gillet has been awarded the 2025 Mike Lynch Award by the Trustees of the Chemical Structure Association Trust.
RSC-CICAG is cooking up something special this festive season - our very own Christmas Cookbook! 🍪 📖
We are hoping to launch a festive CICAG Cookery Book in time for Xmas, which will of course meet the FAIR data standards and, rich semantic metadata and well specified units!
[contd below]
We are hoping to launch a festive CICAG Cookery Book in time for Xmas, which will of course meet the FAIR data standards and, rich semantic metadata and well specified units!
[contd below]
October 23, 2025 at 11:00 AM
RSC-CICAG is cooking up something special this festive season - our very own Christmas Cookbook! 🍪 📖
We are hoping to launch a festive CICAG Cookery Book in time for Xmas, which will of course meet the FAIR data standards and, rich semantic metadata and well specified units!
[contd below]
We are hoping to launch a festive CICAG Cookery Book in time for Xmas, which will of course meet the FAIR data standards and, rich semantic metadata and well specified units!
[contd below]
Co-organised by IUPAC, CODATA, the PSDI project, and hosted by the Royal Society of Chemistry, the conference brought together an international cohort of scientists, data experts, philosophers, and policy makers to address a common goal.
Read about the details - www.rsccicag.org/index_htm_fi...
Read about the details - www.rsccicag.org/index_htm_fi...
October 17, 2025 at 11:30 AM
Co-organised by IUPAC, CODATA, the PSDI project, and hosted by the Royal Society of Chemistry, the conference brought together an international cohort of scientists, data experts, philosophers, and policy makers to address a common goal.
Read about the details - www.rsccicag.org/index_htm_fi...
Read about the details - www.rsccicag.org/index_htm_fi...
Contribution from Professor Adrian Mulholland, Centre for Computational Chemistry, School of Chemistry, University of Bristol
Read here (pg:68) - www.rsccicag.org/index_htm_fi...
Read here (pg:68) - www.rsccicag.org/index_htm_fi...
October 16, 2025 at 3:21 PM
Contribution from Professor Adrian Mulholland, Centre for Computational Chemistry, School of Chemistry, University of Bristol
Read here (pg:68) - www.rsccicag.org/index_htm_fi...
Read here (pg:68) - www.rsccicag.org/index_htm_fi...
Contribution from Dr Wendy Warr, Wendy Warr & Associates, email: [email protected]
Report reproduced with permission.
More to read about the legacy of Dr. Kennard: www.rsccicag.org/index_htm_fi... (pg:46)
Report reproduced with permission.
More to read about the legacy of Dr. Kennard: www.rsccicag.org/index_htm_fi... (pg:46)
October 15, 2025 at 1:00 PM
Contribution from Dr Wendy Warr, Wendy Warr & Associates, email: [email protected]
Report reproduced with permission.
More to read about the legacy of Dr. Kennard: www.rsccicag.org/index_htm_fi... (pg:46)
Report reproduced with permission.
More to read about the legacy of Dr. Kennard: www.rsccicag.org/index_htm_fi... (pg:46)
Contribution from Robert E. Buntrock, Buntrock Associates, Orono, ME, USA
Read this review: www.rsccicag.org/index_htm_fi...
Read this review: www.rsccicag.org/index_htm_fi...
October 13, 2025 at 2:00 PM
Contribution from Robert E. Buntrock, Buntrock Associates, Orono, ME, USA
Read this review: www.rsccicag.org/index_htm_fi...
Read this review: www.rsccicag.org/index_htm_fi...
Digital Discovery focus on the development and application of machine learning, AI and automation tools to unravel scientific problems, and they put data first to ensure reproducibility and faster progress for everyone.
Know more: www.rsc.org/publishing/j...
Know more: www.rsc.org/publishing/j...
October 8, 2025 at 2:31 PM
Digital Discovery focus on the development and application of machine learning, AI and automation tools to unravel scientific problems, and they put data first to ensure reproducibility and faster progress for everyone.
Know more: www.rsc.org/publishing/j...
Know more: www.rsc.org/publishing/j...
We are absolutely delighted to introduce CaSDaR. The brand-new Careers and Skills for Data-driven Research Network+. It was funded in response to the UKRI Research Technical Professional Call, and our mission is to build a supportive, diverse, inclusive and self-sustaining Network of Data Stewards.
October 7, 2025 at 11:00 AM
We are absolutely delighted to introduce CaSDaR. The brand-new Careers and Skills for Data-driven Research Network+. It was funded in response to the UKRI Research Technical Professional Call, and our mission is to build a supportive, diverse, inclusive and self-sustaining Network of Data Stewards.
Starting October 27th, participants will be tasked with solving real-world ADMET prediction problems ExpansionRx faced during lead optimization. Specifically, you will be asked to predict the ADMET properties of late-stage molecules based on earlier-stage data from the same campaigns.
October 6, 2025 at 11:00 AM
Starting October 27th, participants will be tasked with solving real-world ADMET prediction problems ExpansionRx faced during lead optimization. Specifically, you will be asked to predict the ADMET properties of late-stage molecules based on earlier-stage data from the same campaigns.
Creating a purpose-built repository of standardised reaction data is a tall order, but the reward would be huge.
This is what Phil Kay writes for Chemistry World
Read the full article: www.chemistryworld.com/opinion/we-n...
This is what Phil Kay writes for Chemistry World
Read the full article: www.chemistryworld.com/opinion/we-n...
October 2, 2025 at 10:12 AM
Creating a purpose-built repository of standardised reaction data is a tall order, but the reward would be huge.
This is what Phil Kay writes for Chemistry World
Read the full article: www.chemistryworld.com/opinion/we-n...
This is what Phil Kay writes for Chemistry World
Read the full article: www.chemistryworld.com/opinion/we-n...
RSC CICAG Open Source Tools for Chemistry :- Protein Data Bank in Europe (PDBe) Knowledge Base
PDBe is a founding member of the WORLDWIDE PROTEIN DATA BANK FOUNDATION INC which collects, organises and disseminates data on biological macromolecular structures.
PDBe is a founding member of the WORLDWIDE PROTEIN DATA BANK FOUNDATION INC which collects, organises and disseminates data on biological macromolecular structures.
October 1, 2025 at 1:00 PM
RSC CICAG Open Source Tools for Chemistry :- Protein Data Bank in Europe (PDBe) Knowledge Base
PDBe is a founding member of the WORLDWIDE PROTEIN DATA BANK FOUNDATION INC which collects, organises and disseminates data on biological macromolecular structures.
PDBe is a founding member of the WORLDWIDE PROTEIN DATA BANK FOUNDATION INC which collects, organises and disseminates data on biological macromolecular structures.
ChEMBL 36 is out: One of the most useful databases for anyone involved in studies involved in biologically active molecules.
Full details of the update are available on the ChEMBL blog chembl.blogspot.com/2025/09/chem...
It can be downloaded here chembl.gitbook.io/chembl-inter...
Full details of the update are available on the ChEMBL blog chembl.blogspot.com/2025/09/chem...
It can be downloaded here chembl.gitbook.io/chembl-inter...
September 29, 2025 at 1:14 PM
ChEMBL 36 is out: One of the most useful databases for anyone involved in studies involved in biologically active molecules.
Full details of the update are available on the ChEMBL blog chembl.blogspot.com/2025/09/chem...
It can be downloaded here chembl.gitbook.io/chembl-inter...
Full details of the update are available on the ChEMBL blog chembl.blogspot.com/2025/09/chem...
It can be downloaded here chembl.gitbook.io/chembl-inter...
And the winners are: 🥁
Peoples Prize: Sara Tanovic
Industry: Narek Petrosyan
Academia: Sam Money-Kyrle
Congratulations to all the winners! 🏆
Peoples Prize: Sara Tanovic
Industry: Narek Petrosyan
Academia: Sam Money-Kyrle
Congratulations to all the winners! 🏆
September 26, 2025 at 3:08 PM
And the winners are: 🥁
Peoples Prize: Sara Tanovic
Industry: Narek Petrosyan
Academia: Sam Money-Kyrle
Congratulations to all the winners! 🏆
Peoples Prize: Sara Tanovic
Industry: Narek Petrosyan
Academia: Sam Money-Kyrle
Congratulations to all the winners! 🏆
The 8th Artificial Intelligence in Chemistry Symposium at the beautiful Churchill College, University of Cambridge is in effect!
Thank you for these beautiful shots Angelo Pugliese!
#AIChem25
Thank you for these beautiful shots Angelo Pugliese!
#AIChem25
September 23, 2025 at 11:11 AM
The 8th Artificial Intelligence in Chemistry Symposium at the beautiful Churchill College, University of Cambridge is in effect!
Thank you for these beautiful shots Angelo Pugliese!
#AIChem25
Thank you for these beautiful shots Angelo Pugliese!
#AIChem25
This webinar provides an overview of the chemical biology resources at EMBL-EBI focusing on the ChEMBL database.
Watch video: embl-ebi.cloud.panopto.eu/Panopto/Page...
Watch video: embl-ebi.cloud.panopto.eu/Panopto/Page...
September 22, 2025 at 11:00 AM
This webinar provides an overview of the chemical biology resources at EMBL-EBI focusing on the ChEMBL database.
Watch video: embl-ebi.cloud.panopto.eu/Panopto/Page...
Watch video: embl-ebi.cloud.panopto.eu/Panopto/Page...
As part of the National Research Data Infrastructure (NFDI), the NFDI4Chem consortium has set itself the goal of facilitating the planning, collection, storage, processing, analysis and publication of research data. Read more (pg: 35-37): t.ly/-upiJ
September 18, 2025 at 3:00 PM
As part of the National Research Data Infrastructure (NFDI), the NFDI4Chem consortium has set itself the goal of facilitating the planning, collection, storage, processing, analysis and publication of research data. Read more (pg: 35-37): t.ly/-upiJ
CSD data and software update (May 2025)
The latest CSD update, CSD 6.00, brings significant advancements, including a new data format that is extendable, faster to search, contains more data and is smaller to download. It includes 1,371,757 entries, with 45% organic and 55% metal-organic structures
The latest CSD update, CSD 6.00, brings significant advancements, including a new data format that is extendable, faster to search, contains more data and is smaller to download. It includes 1,371,757 entries, with 45% organic and 55% metal-organic structures
September 15, 2025 at 3:50 PM
CSD data and software update (May 2025)
The latest CSD update, CSD 6.00, brings significant advancements, including a new data format that is extendable, faster to search, contains more data and is smaller to download. It includes 1,371,757 entries, with 45% organic and 55% metal-organic structures
The latest CSD update, CSD 6.00, brings significant advancements, including a new data format that is extendable, faster to search, contains more data and is smaller to download. It includes 1,371,757 entries, with 45% organic and 55% metal-organic structures
⚛️ CAS SciFinder is the world’s most current and relied on source for chemical substance information. Inform your critical research activities with authoritative details on chemical substances and their related chemical structures, chemical names, regulatory information, and properties: t.ly/-upiJ
September 12, 2025 at 2:15 PM
⚛️ CAS SciFinder is the world’s most current and relied on source for chemical substance information. Inform your critical research activities with authoritative details on chemical substances and their related chemical structures, chemical names, regulatory information, and properties: t.ly/-upiJ