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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, 22 July 2021

  • by andreasbender
  • 22/07/2021

Dear All, I would like to circulate some current Cheminformatics (and related) news which has… Read More »Cambridge Cheminformatics Newsletter, 22 July 2021

Cambridge Cheminformatics Newsletter, 20 May 2021

  • by andreasbender
  • 20/05/2021

Dear All, I would like to circulate some current Cheminformatics (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 20 May 2021

Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models, A GPCR Case Study: Interview With the Author

  • by andreasbender
  • 20/05/202120/05/2021
  • 1 Comment

Morgan Thomas is a 2nd year PhD student at the Centre of Molecular Informatics at… Read More »Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models, A GPCR Case Study: Interview With the Author

Cambridge Cheminformatics Newsletter, 19 April 2021

  • by andreasbender
  • 19/04/202119/04/2021

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

Cambridge Cheminformatics Newsletter, 24 March 2021

  • by andreasbender
  • 24/03/202119/04/2021

Dear All, I would like to circulate some recent Cheminformatics (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 24 March 2021

Cambridge Cheminformatics Newsletter, 19 February 2021

  • by andreasbender
  • 19/02/202120/05/2021

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

Cambridge Cheminformatics Newsletter, 27 January 2021

  • by andreasbender
  • 27/01/202120/05/2021

Dear All, I would like to circulate some recent cheminformatics (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 27 January 2021

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 Newsletter, 21 December 2020

  • by andreasbender
  • 21/12/202020/05/2021

Dear All, I would like to circulate some recent Cheminformatics (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 21 December 2020

Cambridge Cheminformatics Newsletter, 30 November 2020

  • by andreasbender
  • 30/11/2020

Dear All, I would like to circulate some recent Cheminformatics (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 30 November 2020

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

Interested in life science data analysis

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

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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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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Retweet on TwitterAndreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺 Retweeted
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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