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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

Identification of Intrinsic Drug Resistance and its Biomarkers in High-Throughput Pharmacogenomic and CRISPR Screens: Interview With the Author

  • by andreasbender
  • 10/08/202010/08/2020

Iñigo Ayestaran is a first year PhD student at the Department of Oncology at the… Read More »Identification of Intrinsic Drug Resistance and its Biomarkers in High-Throughput Pharmacogenomic and CRISPR Screens: Interview With the Author

In Silico Toxicology Network Meeting, 30 September 2020 – Final Programme & Job Board Online!

  • by andreasbender
  • 07/08/202007/08/2020

Dear All, The final programme for the In Silico Toxicology Network Meeting is now available,… Read More »In Silico Toxicology Network Meeting, 30 September 2020 – Final Programme & Job Board Online!

(Computational) Toxicology Job Board

  • by andreasbender
  • 06/08/202019/12/2020
  • 1 Comment

This list accompanies the In Silico Toxicology Network Meeting 2020 and will be updated until… Read More »(Computational) Toxicology Job Board

Chemical Space Exploration: How Genetic Algorithms Find the Needle in the Haystack. Interview with the Author

  • by andreasbender
  • 04/08/202004/08/2020

Emilie Henault, together with Maria Rasmussen and Jan Jensen at the University of Copenhagen, have… Read More »Chemical Space Exploration: How Genetic Algorithms Find the Needle in the Haystack. Interview with the Author

Invitation: Special Issue on ‘Artificial Intelligence in Drug Discovery’ in Expert Opinion on Drug Discovery

  • by andreasbender
  • 03/08/202006/08/2020

Dear All, I have just agreed to edit a special issue on ‘Artificial Intelligence for… Read More »Invitation: Special Issue on ‘Artificial Intelligence in Drug Discovery’ in Expert Opinion on Drug Discovery

Cambridge Cheminformatics Newsletter, 6 July 2020

  • by andreasbender
  • 09/07/202009/07/2020

Dear All, In particular due to some relevant upcoming events (and also new vacancies that… Read More »Cambridge Cheminformatics Newsletter, 6 July 2020

Cambridge Cheminformatics Newsletter, 15 June 2020

  • by andreasbender
  • 16/06/202009/07/2020

Dear All, Please find below recent news about events and vacancies in our area, as… Read More »Cambridge Cheminformatics Newsletter, 15 June 2020

Which ligand-protein activities cause adverse events? Interview with the author

  • by andreasbender
  • 15/06/202003/08/2020
  • 1 Comment

Ines Smit is just about to finish her PhD at the University of Cambridge, where… Read More »Which ligand-protein activities cause adverse events? Interview with the author

‘In Silico Toxicology’ Network Meeting 2020 – 30 September 2020, on Zoom, Free and Open to All

  • by andreasbender
  • 11/06/202011/06/2020

This year’s ‘In Silico Toxicology’ Network Meeting will take place on 30 September 2020 via… Read More »‘In Silico Toxicology’ Network Meeting 2020 – 30 September 2020, on Zoom, Free and Open to All

Cambridge Cheminformatics Newsletter – 24 May 2020

  • by andreasbender
  • 24/05/202024/05/2020
  • 1 Comment

Dear All, Please find below recent news about events and vacancies in our area, as… Read More »Cambridge Cheminformatics Newsletter – 24 May 2020

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

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AndreasBenderUKAndreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@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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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 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@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 don’t have to live in the U.K. Perhaps they should move to another country they prefer?

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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 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@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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