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RSC-CICAG @rsc-cicag.bsky.social · 2d

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...

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RSC-CICAG @rsc-cicag.bsky.social · 3d

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.

RSC-CICAG @rsc-cicag.bsky.social · 4d

There will be a total of ten (10) endpoints that participants will be asked to predict.

Know more: openadmet.ghost.io/expansionrx-...

ExpansionRx-OpenADMET Blind Challenge

Small molecules continue to be the bricks and mortar of drug discovery globally, accounting for ~75% of FDA approvals over the last decade. Oral bioavailability, easily tunable properties, modulation…

openadmet.ghost.io

RSC-CICAG @rsc-cicag.bsky.social · 4d

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.

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RSC-CICAG @rsc-cicag.bsky.social · 9d

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...

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RSC-CICAG @rsc-cicag.bsky.social · 9d

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...

RSC-CICAG @rsc-cicag.bsky.social · 9d

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.

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RSC-CICAG @rsc-cicag.bsky.social · 11d

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...

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RSC-CICAG @rsc-cicag.bsky.social · 14d

And the winners are: 🥁

Peoples Prize: Sara Tanovic
Industry: Narek Petrosyan
Academia: Sam Money-Kyrle

Congratulations to all the winners! 🏆

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RSC-CICAG @rsc-cicag.bsky.social · 17d

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

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RSC-CICAG @rsc-cicag.bsky.social · 18d

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...

RSC-CICAG @rsc-cicag.bsky.social · 22d

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

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RSC-CICAG @rsc-cicag.bsky.social · 25d

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

RSC-CICAG @rsc-cicag.bsky.social · 28d

⚛️ 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

RSC-CICAG @rsc-cicag.bsky.social · 29d

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.

RSC-CICAG @rsc-cicag.bsky.social · Sep 9

If you have recent publications you would like us to mention in the next issue (Winter 2025-26), please send bibliographic details to Helen Cooke ([email protected]), confirming that you are a member of CICAG. Please include a URL and/or information about to how to find the publications.

RSC-CICAG @rsc-cicag.bsky.social · Sep 8

8th Artificial Intelligence in Chemistry Symposium starts on 22nd September 2025. Register here: www.rscbmcs.org/events/aiche...

Here are some of the confirmed invited speakers:

🌟 Daniel Price, Nimbus
🌟 Fernanda Duarte, University of Oxford
🌟 Jessica Lanini, Novartis

More profiles out soon.

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RSC-CICAG @rsc-cicag.bsky.social · Sep 8

CAS BioFinder accelerates Drug Discovery. Customers’ use of the tool reveals a hunger for structured, curated data: cen.acs.org/acs-news/CAS...

Source: Chemical & Engineering News

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RSC-CICAG @rsc-cicag.bsky.social · Sep 8

8th Artificial Intelligence in Chemistry Symposium starts on 22nd September 2025. Register: www.rscbmcs.org/events/aiche...

Here are some of the confirmed speakers:

👉 Andrea Volkamer, Saarland University
👉 Andreas Bender, University of Khalifa
👉 Babak Mahjur, MIT

More speaker profiles out soon.

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RSC-CICAG @rsc-cicag.bsky.social · Sep 4

We are pleased to welcome nominations for our annual Lectureship, which celebrates early career researchers, either in academia or industry, who have made significant contributions in the fields of medicinal chemistry and drug discovery.

👉 Details here: www.rsc.org/standards-an...

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RSC-CICAG @rsc-cicag.bsky.social · Sep 2

👉 Nominations should take the form of a succinct justification (maximum 2 pages) for the individual or team nomination.

🌟 All information is available on pg. 98 of The newest issue of Distillate: www.rsccicag.org/index_htm_fi... Contribution by Gary Horrocks, UKeiG, CILIP

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RSC-CICAG @rsc-cicag.bsky.social · Sep 1

This role is eligible for ICR Sponsorship. Support will be provided for costs associated with Visa application. If you are considering relocating to the UK, further information can be found here: www.icr.ac.uk/study-and-ca...

Apply here: jobs.icr.ac.uk/vacancies/13...

#JobAlert #Hiring #PostDoc

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RSC-CICAG @rsc-cicag.bsky.social · Sep 1

🧑🔬 Details:

📍 Location: Sutton
💻 Position: In Silico Medicinal Chemistry
💶 Salary Details: £45,600 -£55,00 pa
📑 Contract: Fixed term
⏰ Last Day to Apply: 12 Sep 2025

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RSC-CICAG @rsc-cicag.bsky.social · Sep 1

Under the guidance of Dr. Andrea Scarpino, The Institute of Cancer Research are seeking to recruit a Postdoctoral Training Fellow to join the In Silico Medicinal Chemistry group within the Division of Cancer Therapeutics.

📨 Apply here: jobs.icr.ac.uk/vacancies/13...

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