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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

“Artificial Intelligence in Drug Design – What is Realistic, What are Illusions?”

  • by andreasbender
  • 02/04/202002/04/2020
  • 2 Comments

Slides from CompChemKitchen talk in Oxford on 27 March 2020 “Artificial Intelligence in Drug Design… Read More »“Artificial Intelligence in Drug Design – What is Realistic, What are Illusions?”

Cambridge Cheminformatics Newsletter – 22 March 2020

  • by andreasbender
  • 23/03/202023/03/2020

In order to provide a publicly available version of the newsletter, and also to archive… Read More »Cambridge Cheminformatics Newsletter – 22 March 2020

Having a Child & Running a Research Group in the Times of Coronavirus

  • by andreasbender
  • 22/03/202023/03/2020
  • 2 Comments

Given the circumstances, an article that is entirely off-topic, but at the same time entirely… Read More »Having a Child & Running a Research Group in the Times of Coronavirus

‘-Omics’ Data – So where is the signal, please?

  • by andreasbender
  • 21/01/202023/03/2020

Biology has over recent decades moved to finer and finer levels of details, be it… Read More »‘-Omics’ Data – So where is the signal, please?

So did ‘AI’ just discover its first drug? Comment on “Deep learning enables rapid identification of potent DDR1 kinase inhibitors”

  • by andreasbender
  • 03/09/201923/03/2020

The recent publication ‘Deep learning enables rapid identification of potent DDR1 kinase inhibitors‘ by the… Read More »So did ‘AI’ just discover its first drug? Comment on “Deep learning enables rapid identification of potent DDR1 kinase inhibitors”

‘AI’ in Toxicology (In Silico Toxicology) – The Pieces Don’t Yet Fit Together

  • by andreasbender
  • 31/08/201902/09/2019
  • 1 Comment

‘All happy molecules are alike; each unhappy molecule is unhappy in its own way.’ Anna… Read More »‘AI’ in Toxicology (In Silico Toxicology) – The Pieces Don’t Yet Fit Together

Why AI and Drug Discovery are no match made in heaven

  • by andreasbender
  • 14/08/201918/08/2019
  • 3 Comments

Artificial Intelligence (AI) has been described as the ‘fourth industrial revolution’, that will lead us… Read More »Why AI and Drug Discovery are no match made in heaven

DrugDiscovery.NET – AI and Machine Learning in Drug Discovery, in Practice

  • by andreasbender
  • 25/07/201914/08/2019
  • 1 Comment

Machine Learning and Artificial Intelligence are increasing in importance currently – due to significantly increased… Read More »DrugDiscovery.NET – AI and Machine Learning in Drug Discovery, in Practice

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·
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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