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Macinchem Blog meetings

 Cambridge Cheminformatics Meeting on 23 April 2025

31 March 202531 March 2025 chris

Programme A Day in the Life of a Chief Data Science Officer: Making Data-Driven Decisions in Drug Discovery Layla Hosseini-Gerami, Ignota Labs https://www.ignotalabs.ai Targeting the

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Macinchem Blog meetings

8th Artificial Intelligence in Chemistry Conference

21 February 202525 March 2025 chris

Abstract submission is now open for the 8th RSC-CICAG/BMCS Artificial Intelligence in Chemistry Meeting. Details of the meeting are here https://www.rscbmcs.org/events/aichem8/ You can submit abstracts

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Macinchem Blog meetings

Cambridge Cheminformatics Network Meeting 19 Feb 2025

7 February 20257 February 2025 chris

The next Cambridge Cheminformatics Network meeting is on Feb 19th at the Cambridge Crystallographic Data Centre (CCDC), it will start at 4 pm and finish

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Macinchem Blog

Conformational Design in Drug Discovery

24 January 202524 January 2025 chris

BMCS are hosting an exciting “Conformational Design in Drug Discovery” conference at the AstraZeneca DISC in Cambridge, UK on March 3, 2025. Abstract submission deadline

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Macinchem Blog

RSC CICAG Distillate (formerly Newsletter) now available

15 January 202515 January 2025 chris

The CICAG Newsletter, which had its origins in the 1990s (when CICAG was two groups, the ‘Chemical Information Group’ and the ‘Computer Applications Subject Group’).

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Macinchem Blog

Feedback from 7th Artificial Intelligence in Chemistry Conference

22 October 202422 October 2024 chris

We have just got the results of the feedback from the 7th RSC-CICAG / RSC-BMCS Artificial Intelligence in Chemistry held at Churchill College in September.

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Macinchem Blog

ChEMBL 15 Year Symposium 

25 June 2024 chris

I’m sure many people have used ChEMBL at some point or other and it is great to see a 15 year celebration. it is also

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Macinchem Blog

Molecular Simulations in Chemistry Meeting

13 May 202413 May 2024 chris

There is still time to register for the RSC CICAG Molecular Simulations in Chemistry meeting 14 June 2024 09:30-17:00, Burlington House, London, United Kingdom. You

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Macinchem Blog Uncategorised

7th Artificial Intelligence in Chemistry Symposium Poster submission

22 March 202422 March 2024 chris

I just want to highlight the submission deadline for poster submission for the 7th Artificial Intelligence in Chemistry Symposium. The deadline is 3 May 2024,

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Macinchem Blog

7th Artificial Intelligence in Chemistry Conference

23 February 202423 February 2024 chris

The 7th RSC-CICAG / RSC-BMCS Artificial Intelligence in Chemistry conference will take place from Monday-Wednesday, 16th – 18th September 2024 at Churchill College, Cambridge, UK.

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Chris Swain Follow

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Avatar Chris Swain @macinchem ·
6 Feb

Looking at TabPFN with Polaris datasets https://macinchem.org/2025/02/06/looking-at-tabpfn/ #cheminformatics

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Avatar RSC_CICAG @rsc_cicag ·
3 Feb

Don't forget to register for @RSC_BMCS Conformation Design in #DrugDiscovery conference on 3rd March! … #chemistry #medicinalchemistry #NMR #computationalchemistry #biologists

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Avatar Rowan @rowansci ·
31 Jan

RDKit is the standard software for cheminformatics, but RDKit doesn’t integrate naturally with high-accuracy chemistry simulation tools.

Starting from RDKit, it's non-trivial to simulate pKa, optimize conformers w/ ML, score tautomers, &c. There are many posts like this:

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Avatar Chris Swain @macinchem ·
31 Jan

Tabular Prior-data Fitted Network (TabPFN), a tabular foundation model on Apple Silicon. https://macinchem.org/2025/01/31/tabpfn-on-apple-silicon/

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