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/
"Transthyretin amyloidosis (ATTR) affects the heart and peripheral nerves, and advanced cases still lack effective treatments. Building on our prototype ligand mds84, we designed bivalent molecules that better stabilize TTR."
Journal of Medicinal Chemistry 2025. pubs.acs.org/doi/10.1021/...
Journal of Medicinal Chemistry 2025. pubs.acs.org/doi/10.1021/...
December 17, 2025 at 11:01 AM
"Transthyretin amyloidosis (ATTR) affects the heart and peripheral nerves, and advanced cases still lack effective treatments. Building on our prototype ligand mds84, we designed bivalent molecules that better stabilize TTR."
Journal of Medicinal Chemistry 2025. pubs.acs.org/doi/10.1021/...
Journal of Medicinal Chemistry 2025. pubs.acs.org/doi/10.1021/...
Report on the New Approaches to the Treatment of Parkinson's Disease conference by Dr. Chris Swain: www.cambridgemedchemconsulting.com/news/index_f...
December 15, 2025 at 1:20 PM
Report on the New Approaches to the Treatment of Parkinson's Disease conference by Dr. Chris Swain: www.cambridgemedchemconsulting.com/news/index_f...
Read the full piece (pg: 15) - www.rsccicag.org/index_htm_fi...
December 11, 2025 at 2:44 PM
Read the full piece (pg: 15) - www.rsccicag.org/index_htm_fi...
This book covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures
December 10, 2025 at 12:09 PM
This book covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures
We want your FAIR recipes. Have you sent yours yet?
Fill in the following sheet to send your entry: www.rsccicag.org/index_htm_fi...
We've extended the deadline to 15th December! Fill in the sheet attached and mail it to j.g.frey@soton.ac.uk
Fill in the following sheet to send your entry: www.rsccicag.org/index_htm_fi...
We've extended the deadline to 15th December! Fill in the sheet attached and mail it to j.g.frey@soton.ac.uk
December 5, 2025 at 12:30 PM
We want your FAIR recipes. Have you sent yours yet?
Fill in the following sheet to send your entry: www.rsccicag.org/index_htm_fi...
We've extended the deadline to 15th December! Fill in the sheet attached and mail it to j.g.frey@soton.ac.uk
Fill in the following sheet to send your entry: www.rsccicag.org/index_htm_fi...
We've extended the deadline to 15th December! Fill in the sheet attached and mail it to j.g.frey@soton.ac.uk
The German Chemical Society (GDCh) and Wiley-VCH launch Angewandte Chemie Novit, a highly selective journal with a unique selection process to give the best research extra visibility.
🔗 Know more: www.chemistryviews.org/how-to-find-...
Source: @chemistryviews.bsky.social
🔗 Know more: www.chemistryviews.org/how-to-find-...
Source: @chemistryviews.bsky.social
December 4, 2025 at 2:19 PM
The German Chemical Society (GDCh) and Wiley-VCH launch Angewandte Chemie Novit, a highly selective journal with a unique selection process to give the best research extra visibility.
🔗 Know more: www.chemistryviews.org/how-to-find-...
Source: @chemistryviews.bsky.social
🔗 Know more: www.chemistryviews.org/how-to-find-...
Source: @chemistryviews.bsky.social
OpenADMET and ExpansionRx are running an ADMET-focused contest with a huge set of real world drug discovery data. Challenge page: huggingface.co/spaces/opena... [contd]
December 2, 2025 at 2:00 PM
OpenADMET and ExpansionRx are running an ADMET-focused contest with a huge set of real world drug discovery data. Challenge page: huggingface.co/spaces/opena... [contd]
We're getting ready with our FAIR recipes. Have you sent yours in?
Fill in the following sheet: www.rsccicag.org/index_htm_fi...
We've extended the deadline to 15th December! Send your entries to j.g.frey@soton.ac.uk
Fill in the following sheet: www.rsccicag.org/index_htm_fi...
We've extended the deadline to 15th December! Send your entries to j.g.frey@soton.ac.uk
December 2, 2025 at 11:00 AM
We're getting ready with our FAIR recipes. Have you sent yours in?
Fill in the following sheet: www.rsccicag.org/index_htm_fi...
We've extended the deadline to 15th December! Send your entries to j.g.frey@soton.ac.uk
Fill in the following sheet: www.rsccicag.org/index_htm_fi...
We've extended the deadline to 15th December! Send your entries to j.g.frey@soton.ac.uk
Contribution from Dr Diana Leitch, Trustee, CATALYST SCIENCE DISCOVERY CENTRE AND MUSEUM TRUST LIMITED, and CICAG Committee Member
Read here (pg: 84): www.rsccicag.org/index_htm_fi...
Read here (pg: 84): www.rsccicag.org/index_htm_fi...
November 27, 2025 at 4:02 PM
Contribution from Dr Diana Leitch, Trustee, CATALYST SCIENCE DISCOVERY CENTRE AND MUSEUM TRUST LIMITED, and CICAG Committee Member
Read here (pg: 84): www.rsccicag.org/index_htm_fi...
Read here (pg: 84): www.rsccicag.org/index_htm_fi...
The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry.
Contribution from Benjamin J. Deadman
Know more (pg: 89): www.rsccicag.org/index_htm_fi...
Contribution from Benjamin J. Deadman
Know more (pg: 89): www.rsccicag.org/index_htm_fi...
November 21, 2025 at 4:41 PM
The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry.
Contribution from Benjamin J. Deadman
Know more (pg: 89): www.rsccicag.org/index_htm_fi...
Contribution from Benjamin J. Deadman
Know more (pg: 89): www.rsccicag.org/index_htm_fi...
Molecular and Materials Modelling at Newcastle University (2015-2025)
Contribution from Thomas Penfold, Agnieszka Bronowska, Daniel Cole, James Dawson & Ioan-Bogdan Magdau. School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne.
Read on pg. 92: t.ly/2y4yM
Contribution from Thomas Penfold, Agnieszka Bronowska, Daniel Cole, James Dawson & Ioan-Bogdan Magdau. School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne.
Read on pg. 92: t.ly/2y4yM
November 18, 2025 at 11:04 AM
Molecular and Materials Modelling at Newcastle University (2015-2025)
Contribution from Thomas Penfold, Agnieszka Bronowska, Daniel Cole, James Dawson & Ioan-Bogdan Magdau. School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne.
Read on pg. 92: t.ly/2y4yM
Contribution from Thomas Penfold, Agnieszka Bronowska, Daniel Cole, James Dawson & Ioan-Bogdan Magdau. School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne.
Read on pg. 92: t.ly/2y4yM
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: wendy@warr.com
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: wendy@warr.com
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...