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DrugDiscovery.NET - AI in Drug Discovery

Realistic views on AI/ML using life science data. Opinions my own and with my academic hat on.

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DrugDiscovery.NET - AI in Drug Discovery

Realistic views on AI/ML using life science data. Opinions my own and with my academic hat on.

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by andreasbender
24/07/201904/09/2020

Andreas Bender, ab454 [at] cam.ac.uk

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Andreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺Follow

Andreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@AndreasBenderUK·

New Cambridge Cheminformatics Newsletter now available at http://DrugDiscovery.NET!

http://www.drugdiscovery.net/2021/03/24/cambridge-cheminformatics-newsletter-24-march-2021/

#cheminformatics #drugdiscovery #Cambridge

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Derek Lowe@Dereklowe·

Thoughts on what (to me) is the big question that looms over all AI/ML approaches to drug discovery:
https://blogs.sciencemag.org/pipeline/archives/2021/03/19/ai-and-drug-discovery-attacking-the-right-problems

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Andreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@AndreasBenderUK·

And now over to the Conservative Member of Parliament for Grimsby...

Lia Nici@lia_nici

@JamesSunderl @BBCBreakfast @BBCNews @Ofcom @bbcpress Of course if people are not proud to be British, or of our flag or Queen, they don’t have to live in the U.K. Perhaps they should move to another country they prefer?

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EU-OPENSCREEN ERIC @EuOpenscreen·

During the #ECBS2021 on May 26-28, our expert speakers will give insights to the latest achievements and challenges in chemical biology.
@mpimoph @AndreasBenderUK @Helmholtz_HZI
@alessiociulli @PaiviTammela
@BorisVauzeilles @ICSN_lab
@HITStudies @UniHeidelberg
@georg_e_winter

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Andreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@AndreasBenderUK·

Using generative models with docking-based scoring functions has advances where little/no bioactive chemical matter is known - well done, Morgan!

More to come on other target classes, prior choice, and methodological advances how to make generative models more efficient shortly

Morgan Thomas@MorganThomas263

Checkout our recent preprint: Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models: A GPCR Case Study https://doi.org/10.26434/chemrxiv.14138147.v1

@baoilleach @Chris_de_Graaf @AndreasBenderUK
#compchem

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