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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 Discovery – What is Realistic, What are Illusions? (Parts 1 and 2; Pinned)

  • by andreasbender
  • 22/01/202119/02/2021

Isidro Cortes and I (Andreas Bender) have recently written a two-piece review on “Artificial Intelligence… Read More »Artificial Intelligence in Drug Discovery – What is Realistic, What are Illusions? (Parts 1 and 2; Pinned)

Cambridge Cheminformatics Meetings & Digital Science for Drug Discovery Meetings (Pinned)

  • by andreasbender
  • 16/10/202019/08/2021

We are organizing regular Cambridge Cheminformatics Meetings, since 2010, and held via Zoom, which are… Read More »Cambridge Cheminformatics Meetings & Digital Science for Drug Discovery Meetings (Pinned)

Cambridge Cheminformatics Newsletter, 22 May 2022

  • by andreasbender
  • 22/05/202222/05/2022

Dear All, I would like to circulate some current Cheminformatics- (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 22 May 2022

Cambridge Cheminformatics Newsletter, 26 April 2022

  • by andreasbender
  • 26/04/2022

Dear All, I would like to circulate some current Cheminformatics- (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 26 April 2022

Cambridge Cheminformatics Newsletter, 21 March 2022

  • by andreasbender
  • 21/03/2022

Dear All, I would like to circulate some current Cheminformatics- (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 21 March 2022

Cambridge Cheminformatics Newsletter, 20 February 2022

  • by andreasbender
  • 20/02/2022

Dear All, I would like to circulate some current Cheminformatics-(and related) news to everyone as… Read More »Cambridge Cheminformatics Newsletter, 20 February 2022

Cambridge Cheminformatics Newsletter, 24 January 2022

  • by andreasbender
  • 24/01/202224/01/2022

Dear All, I would like to circulate some current Cheminformatics- (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 24 January 2022

Cambridge Cheminformatics Newsletter, 3 January 2022

  • by andreasbender
  • 03/01/202203/01/2022

Dear All, I would like to circulate some current Cheminformatics- (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 3 January 2022

Cambridge Cheminformatics Newsletter, 19 November 2021

  • by andreasbender
  • 19/11/202119/11/2021

Dear All, I would like to circulate some current Cheminformatics (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 19 November 2021

Cambridge Cheminformatics Newsletter, 26 October 2021

  • by andreasbender
  • 26/10/2021

Dear All, I would like to circulate some current Cheminformatics (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 26 October 2021

Cambridge Cheminformatics Newsletter, 19 August 2021

  • by andreasbender
  • 19/08/202123/01/2022

Dear All, I would like to circulate some current Cheminformatics (and related) news which has… Read More »Cambridge Cheminformatics Newsletter, 19 August 2021

How to Predict Absolute Likelihoods of Ligand-Target Bioactivity, and How to Take Experimental Noise Into Account During Model Generation? An Interview With the Authors

  • by andreasbender
  • 17/08/202117/08/2021
  • 1 Comment

Predicting protein targets for compounds is an area of high practical importance, such as for… Read More »How to Predict Absolute Likelihoods of Ligand-Target Bioactivity, and How to Take Experimental Noise Into Account During Model Generation? An Interview With the Authors

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

Interested in life science data analysis

Andreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺
AndreasBenderUKAndreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@AndreasBenderUK·
2 May

!! This Week Thursday (5 May, 4pm CET) !!
>> Free Energy Methods in Drug Discovery <<
Register here: https://zoom.us/meeting/register/tJAvce-hqzIoH9DFjvlpKKmHbhNMTXtUkcWi for the next http://digidrug.net event
With @ppxasjsm and @Ch_Schindler
Organized w/ Andrea Volkamer & @ClaraDChrist
#ai #compchem #cheminformatics

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KorcsmarosLabKorcsmarosLab@KorcsmarosLab·
28 Apr

Just published @NatureComms a #PrecisionMedicine pipeline, iSNP. By combining patient-specific genomic information w/ regulatory & signaling network data (from @omnipathdb) we stratify #IBD patients in a more efficient way than just using their genome 1/13
https://www.nature.com/articles/s41467-022-29998-8

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ClaraDChristClara Christ@ClaraDChrist·
25 Apr

Don't miss to register https://zoom.us/meeting/register/tJAvce-hqzIoH9DFjvlpKKmHbhNMTXtUkcWi for the next http://digidrug.net edition with Antonia Mey @ppxasjsm and @Ch_Schindler 5 May 2022 4pm; organized with Andrea Volkamer and
@AndreasBenderUK; #ai #compchem #DataScience #cheminformatics

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MorganThomas263Morgan Thomas@MorganThomas263·
15 Apr

Delighted to finally share our work that was initially presented at #AIChem21:
"Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation"
#compchem @baoilleach @AndreasBenderUK @Chris_de_Graaf
https://doi.org/10.26434/chemrxiv-2022-prz2r

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rsc_chembioRSC Chemical Biology@rsc_chembio·
9 Feb

🚨 Issue 2 of @rsc_chembio is live! #chembio

🧐 Features work from @MatsuuraLabora1 on viral capsids, @VijayChudasama_ on immunotherapy, @AndreasBenderUK on MoA data, @Daniel_G_Rivera on covid & much more! What will you discover?

🔗 Read it #OpenAccess 👉http://ow.ly/79Ql50HQJEH

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