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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.
  • About
  • Contact
  • Author

guestcontribution

Special Issue on Applications of Machine Learning and Artificial Intelligence in NMR – Invitation to Contribute

  • by andreasbender
  • 20/08/202020/08/2020

Guest contribution by Stefan Kuhn, De Montfort University To ensure that our community receives the… Read More »Special Issue on Applications of Machine Learning and Artificial Intelligence in NMR – Invitation to Contribute

Andreas Bender ๐Ÿ‡ฉ๐Ÿ‡ช ๐Ÿ‡ฎ๐Ÿ‡ช ๐Ÿ‡ฌ๐Ÿ‡ง ๐Ÿ‡บ๐Ÿ‡ธ ๐Ÿ‡ฎ๐Ÿ‡ณ ๐Ÿ‡ณ๐Ÿ‡ฑ ๐Ÿ‡ช๐Ÿ‡บFollow

Andreas Bender ๐Ÿ‡ฉ๐Ÿ‡ช ๐Ÿ‡ฎ๐Ÿ‡ช ๐Ÿ‡ฌ๐Ÿ‡ง ๐Ÿ‡บ๐Ÿ‡ธ ๐Ÿ‡ฎ๐Ÿ‡ณ ๐Ÿ‡ณ๐Ÿ‡ฑ ๐Ÿ‡ช๐Ÿ‡บ
AndreasBenderUKAndreas Bender ๐Ÿ‡ฉ๐Ÿ‡ช ๐Ÿ‡ฎ๐Ÿ‡ช ๐Ÿ‡ฌ๐Ÿ‡ง ๐Ÿ‡บ๐Ÿ‡ธ ๐Ÿ‡ฎ๐Ÿ‡ณ ๐Ÿ‡ณ๐Ÿ‡ฑ ๐Ÿ‡ช๐Ÿ‡บ@AndreasBenderUK·
24 Mar

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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Retweet on TwitterAndreas Bender ๐Ÿ‡ฉ๐Ÿ‡ช ๐Ÿ‡ฎ๐Ÿ‡ช ๐Ÿ‡ฌ๐Ÿ‡ง ๐Ÿ‡บ๐Ÿ‡ธ ๐Ÿ‡ฎ๐Ÿ‡ณ ๐Ÿ‡ณ๐Ÿ‡ฑ ๐Ÿ‡ช๐Ÿ‡บ Retweeted
DerekloweDerek Lowe@Dereklowe·
19 Mar

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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AndreasBenderUKAndreas Bender ๐Ÿ‡ฉ๐Ÿ‡ช ๐Ÿ‡ฎ๐Ÿ‡ช ๐Ÿ‡ฌ๐Ÿ‡ง ๐Ÿ‡บ๐Ÿ‡ธ ๐Ÿ‡ฎ๐Ÿ‡ณ ๐Ÿ‡ณ๐Ÿ‡ฑ ๐Ÿ‡ช๐Ÿ‡บ@AndreasBenderUK·
19 Mar

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 donโ€™t have to live in the U.K. Perhaps they should move to another country they prefer?

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Retweet on TwitterAndreas Bender ๐Ÿ‡ฉ๐Ÿ‡ช ๐Ÿ‡ฎ๐Ÿ‡ช ๐Ÿ‡ฌ๐Ÿ‡ง ๐Ÿ‡บ๐Ÿ‡ธ ๐Ÿ‡ฎ๐Ÿ‡ณ ๐Ÿ‡ณ๐Ÿ‡ฑ ๐Ÿ‡ช๐Ÿ‡บ Retweeted
EuOpenscreenEU-OPENSCREEN ERIC@EuOpenscreen·
16 Mar

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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AndreasBenderUKAndreas Bender ๐Ÿ‡ฉ๐Ÿ‡ช ๐Ÿ‡ฎ๐Ÿ‡ช ๐Ÿ‡ฌ๐Ÿ‡ง ๐Ÿ‡บ๐Ÿ‡ธ ๐Ÿ‡ฎ๐Ÿ‡ณ ๐Ÿ‡ณ๐Ÿ‡ฑ ๐Ÿ‡ช๐Ÿ‡บ@AndreasBenderUK·
4 Mar

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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