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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

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

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

  • by andreasbender
  • 02/04/202002/04/2020
  • 1 Comment

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

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

Interested in life science data analysis

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

AI and Drug Discovery... or just 'Cheminformatics'!

New Cambridge Cheminformatics Newsletter is out - 20+ Jobs, resources, etc.

Check out and circulate, cheers!

#cheminformatics #ai #drugdiscovery

http://www.drugdiscovery.net/2022/06/29/cambridge-cheminformatics-newsletter-29-june-2022/

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ploscompbiol PLOS Comp Biol @ploscompbiol ·
17 Jun

New: "Deriving time-concordant event cascades from gene expression data: A case study for Drug-Induced Liver Injury (DILI)".
@AnikaLiuu
@HanNamshik
@AndreasBenderUK
Read the full article here: http://plos.io/3Hsz9XA

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andreasbenderuk Andreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺 @andreasbenderuk ·
14 Jun

AI in drug discovery - where are we, where are we going? A podcast with Stuart Lowe, Sarah Morrow, @AaronPMorris and myself, organized and supported by the @ttp_plc #drugdiscovery #AI

TTP @ttp_plc

The use of AI in drug discovery is one of the most exciting new sectors in the field. But how does it really work? What are the conditions needed to implement it? Is it really anything more than just a useful tool?

https://podcasts.apple.com/us/podcast/invent-health/id1589989419

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ccdc_cambridge CCDC Cambridge @ccdc_cambridge ·
7 Jun

📢The Cambridge #Cheminformatics meeting is tomorrow! Free and open to all. A few in-person places available (contact @AndreasBenderUK), and plenty of room on zoom.

Register: https://zoom.us/meeting/register/tJwlde-gpz4iG9NZ60YXrbGfGgvDWeozG-QK

#compchem #chemistry #CambridgeUK https://twitter.com/AndreasBenderUK/status/1529032472549277699

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

Next Cambridge #Cheminformatics Meeting:
8 June (Wed), 4pm UK, HYBRID!

On Zoom & at @ccdc_cambridge

Virtual reg. at https://zoom.us/meeting/register/tJwlde-gpz4iG9NZ60YXrbGfGgvDWeozG-QK, details at http://www.c-inf.net

Covering fingerprints, graph computing, free energy methods

Join in & circulate!

#compchem #AI

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natrevchem Nature Reviews Chemistry @natrevchem ·
24 May

Evaluation guidelines for machine learning tools in the chemical sciences

https://www.nature.com/articles/s41570-022-00391-9#?utm_source=twitter&utm_medium=social&utm_campaign=natrevchem

A Perspective by @AndreasBenderUK @marwinsegler @foo_fighterin
@wpwalters , Ola Engkvist, and @tiago_medchem

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