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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

Contact

  • by andreasbender
  • 24/07/201904/09/2020

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

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

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

Cambridge Cheminformatics Meeting, 25 November 2020, 4pm (UK time) - free, online, and open to all!

Join us and circulate!

https://zoom.us/meeting/register/tJ0uceCprDgpG9LGnKBoCJfuv_LkgwW_gNPl

#cheminformatics #drugdiscovery #MachineLearning #Cambridge

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AndreasBenderUKAndreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@AndreasBenderUK·
16 Oct

Cambridge Cheminformatics Newsletter - Events, Vacancies and Beyond!

14 October 2020 Edition - please circulate to others who might be interested

http://www.drugdiscovery.net/2020/10/15/cambridge-cheminformatics-newsletter-14-october-2020/

#cambridge #cheminformatics #drugdiscovery

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AndreasBenderUKAndreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@AndreasBenderUK·
14 Oct

How to Lie With Computational Predictive Models in Drug Discovery

Maybe we need to do better - and it's not only due to the algorithms we use...?

http://www.drugdiscovery.net/2020/10/13/how-to-lie-with-computational-predictive-models-in-drug-discovery/

#cheminformatics #AI #drugdiscovery

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AndreasBenderUKAndreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@AndreasBenderUK·
12 Oct

I am speaking at the "Second Annual Conference on the State of Science on Development and Use of New Approach Methods (NAMs) for Chemical Safety Testing" on 19/20 Oct 2020 hosted by the EPA - participation is free and open to all:

https://www.eventbrite.com/e/second-annual-conference-on-the-use-of-new-approach-methods-tickets-118991138699

#safety #chemistry #epa

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MorganThomas263Morgan Thomas@MorganThomas263·
18 Sep

Pleased to present some of my work in collaboration with @soseiheptaresco at #AIChem20posters

Assessing the difference between ligand-based (QSAR) or structure-based (docking) scoring functions to guide a deep generative model via reinforcement learning.
https://drive.google.com/file/d/1eD0MjXJob_w6-QPl7yxK1HC9SYnK8ZVN/view?usp=sharing

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