Submit your Christmas creation by 10th December to Dr. Jeremy Frey at j.g.frey@soton.ac.uk!
04.11.2025 12:01 — 👍 0 🔁 0 💬 0 📌 0
🎄🔥 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!
04.11.2025 12:01 — 👍 0 🔁 1 💬 1 📌 0
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-...
31.10.2025 10:09 — 👍 2 🔁 2 💬 0 📌 0
The programme will be targeted towards researchers working who would like to enhance their understanding of these nascent or developing fields.
Registration is open. Please click here to register: t.ly/oQ_AR
🗓️ Thursday 20th November 2025 (afternoon)
⏳ 13:00 – 17:00 UK Time
💻 Online event, Zoom
29.10.2025 16:32 — 👍 0 🔁 0 💬 0 📌 0
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.
29.10.2025 16:32 — 👍 0 🔁 0 💬 1 📌 0
A new WLN parser built with OpenBabel enables conversion into modern formats, while a Finite State Machine derived from WLN rules extracts chemical strings from text. Using WLN data from ChEMBL, ChemSpider, and PubChem, the study identified and corrected numerous database inaccuracies.
27.10.2025 13:02 — 👍 0 🔁 0 💬 1 📌 0
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📋 Wiswesser Line Notation (WLN) is an early chemical encoding system now superseded by SMILES and InChI.
27.10.2025 13:02 — 👍 1 🔁 0 💬 1 📌 0
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.
24.10.2025 14:00 — 👍 0 🔁 0 💬 0 📌 0
Complete the spreadsheet to send in your entries: www.rsccicag.org/index_htm_fi...
Entries are to be sent to Prof. Jeremy Frey at j.g.frey@soton.ac.uk
Share your favourite festive recipe and help us make this the most well-documented Christmas feast ever. 🎉
📬 Deadline: 10th December.
23.10.2025 11:00 — 👍 1 🔁 1 💬 0 📌 0
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]
23.10.2025 11:00 — 👍 3 🔁 2 💬 1 📌 0
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...
17.10.2025 11:30 — 👍 1 🔁 1 💬 0 📌 0
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...
16.10.2025 15:21 — 👍 2 🔁 0 💬 0 📌 0
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)
15.10.2025 13:00 — 👍 1 🔁 0 💬 0 📌 0
Contribution from Robert E. Buntrock, Buntrock Associates, Orono, ME, USA
Read this review: www.rsccicag.org/index_htm_fi...
13.10.2025 14:00 — 👍 0 🔁 0 💬 0 📌 0
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...
08.10.2025 14:31 — 👍 1 🔁 0 💬 0 📌 0
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.
07.10.2025 11:00 — 👍 0 🔁 0 💬 0 📌 0
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.
06.10.2025 11:00 — 👍 1 🔁 0 💬 1 📌 0
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...
02.10.2025 10:12 — 👍 1 🔁 0 💬 0 📌 0
In collaboration with the other Worldwide Protein Data Bank (wwPDB Foundation) partners, they work to collate, maintain and provide access to the global repository of macromolecular structure models, the Protein Data Bank (PDB).
Watch our YouTube about it: www.youtube.com/watch?v=sP4d...
01.10.2025 13:00 — 👍 0 🔁 0 💬 0 📌 0
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.
01.10.2025 13:00 — 👍 0 🔁 0 💬 1 📌 0
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...
29.09.2025 13:14 — 👍 2 🔁 0 💬 0 📌 0
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
23.09.2025 11:11 — 👍 2 🔁 0 💬 0 📌 0
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...
22.09.2025 11:00 — 👍 0 🔁 0 💬 0 📌 0
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
18.09.2025 15:00 — 👍 3 🔁 1 💬 0 📌 0
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
15.09.2025 15:50 — 👍 0 🔁 0 💬 0 📌 0
⚛️ 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
12.09.2025 14:15 — 👍 0 🔁 0 💬 0 📌 0
There are a few spots left: www.rscbmcs.org/events/aiche...
This year’s meeting will build on 2024’s popular “Introduction to AI in Chemistry” workshop on Day 1, this time with an additional introduction to Python/Jupyter notebooks.
11.09.2025 15:00 — 👍 0 🔁 0 💬 0 📌 0
Create and share social media content anywhere, consistently.
Built with 💙 by a global, remote team.
⬇️ Learn more about Buffer & Bluesky
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Empowering Data Stewards to transform research! CaSDaR is a UKRI-funded Network+ dedicated to advancing careers, skills, and recognition for data-driven research.
Cheminformatics. Consultant https://www.warr.com. Attendee at many compchem/cheminf meetings. Writer
The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
Website: https://www.ccdc.cam.ac.uk/
The place to publish all your research, Octopus is free, fast and fair.
Funded by UKRI, in partnership with UKRN and Jisc.
www.octopus.ac
#OpenResearch #OpenAccess
We are the UK's leading hub of expertise in curating digital research data.
IDCC26 coming to Zagreb, Croatia 16-18 February - https://dcc.ac.uk/events/idcc26
Molecular Identifier
https://www.inchi-trust.org and https://www.iupac.org
⚗️ We help chemists to handle their data from measure to publish.
📑We build an open + FAIR infrastructure for research data management.
🧑🔬Non-profit, community-driven
A consortium of the National Forschungsdaten Infrastruktur (NFDI).
FAIRmat represents the interests of experimental, theoretical and computational condensed-matter physics and materials science.
Alchemy is a UK hub with a mission to transform the Chemistry – AI interface through world-leading research and catalyse the adoption of AI in experimental and computational chemistry.
Work at drughunter.com - Drug Discovery, Data Science, Cheminformatics, Computational Medicinal Chemistry, Drug Repositioning, Structural Bioinformatics, CADD, SaaS, DaaS, AI/ML https://scholar.google.com/citations?user=52VMFeYAAAAJ
Head of Chemistry Data at the Royal Society of Chemistry. Also InChI Trust and chemical standards, but have also loaded up on starter lists of other interesting stuff.
Digital chemist & chemistry automation nerd | Lives in a historical canalside cottage | Beginner computational chemist and Swedish speaker | Views are mine | She/they. Macclesfield, UK
Cheminformatician, developer, climber, runner, hiker, cook
ORCID: 0000-0001-6279-4481
Cheminformatics scientist living in #Aarhus #Denmark • Chair @UKQSAR • FRSA FRSB FRSC
https://scholar.google.com/citations?user=N0-4IgoAAAAJ
Cheminformatics, bioinformatics, drug discovery, computational life sciences etc - for more information please see https://andreasbender.de
Proud editor of the 'Cambridge Cheminformatics Newsletter' - please see https://www.drugdiscovery.net
Cheminformatics, ML, Drug Discovery
organising drug discovery data @ChEMBL, editor @jcheminf, loves sciene, yoga, writing, running, nature. mother of three. she/her
Senior Enterprise Fellow: Co-I & Pathfinder Lead for PSDI & PI for CaSDaR! I am interested in all things related to data stewardship, process recording, digital note taking and semantic web technologies. Tea and Cats make the world go round.
