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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, 9 November 2020

  • by andreasbender
  • 09/11/202019/04/2021

Dear All, I would like to circulate some recent Cheminformatics (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 9 November 2020

Cambridge Cheminformatics Meetings & Newsletter (Pinned)

  • by andreasbender
  • 16/10/202030/11/2020

We are organizing regular Cambridge Cheminformatics Meetings, held via Zoom, which are free and open… Read More »Cambridge Cheminformatics Meetings & Newsletter (Pinned)

Cambridge Cheminformatics Newsletter, 14 October 2020

  • by andreasbender
  • 15/10/202015/10/2020
  • 1 Comment

Dear All, I would like to circulate some recent Cheminformatics (and related) news to everyone… Read More »Cambridge Cheminformatics Newsletter, 14 October 2020

How to Lie With Computational Predictive Models in Drug Discovery

  • by andreasbender
  • 13/10/202022/01/2021
  • 3 Comments

Predictive Models – Is There Anything Wrong? Computational modelling of data (or ‘Artificial Intelligence’ if… Read More »How to Lie With Computational Predictive Models in Drug Discovery

Knowledge-Primed Neural Networks Enable Biologically Interpretable Deep Learning on Single-Cell Sequencing Data: Interview With the Author

  • by andreasbender
  • 15/09/202015/09/2020

Nikolaus Fortelny just completed his postdoctoral research at the CeMM Research Center for Molecular Sciences… Read More »Knowledge-Primed Neural Networks Enable Biologically Interpretable Deep Learning on Single-Cell Sequencing Data: Interview With the Author

Will Robotics, AI and Cloud Computing In Chemical Synthesis Save Drug Discovery? A Closer Look

  • by andreasbender
  • 09/09/202022/01/2021
  • 1 Comment

Recent work by IBM, featured in articles such as “IBM seeks to simplify robotic chemistry”… Read More »Will Robotics, AI and Cloud Computing In Chemical Synthesis Save Drug Discovery? A Closer Look

Cambridge Cheminformatics Meeting: Video 2 Sep; Registration 25 Nov 2020; 2021 Dates

  • by andreasbender
  • 04/09/202007/09/2020

Recording of 2 September 2020 Meeting Dear All, The recording of the Cambridge Cheminformatics Meeting… Read More »Cambridge Cheminformatics Meeting: Video 2 Sep; Registration 25 Nov 2020; 2021 Dates

Cambridge Cheminformatics Newsletter, 24 August 2020

  • by andreasbender
  • 27/08/202009/09/2020
  • 1 Comment

This is the online version of the newsletter – if you would like to receive… Read More »Cambridge Cheminformatics Newsletter, 24 August 2020

‘Applied AI Letters’ – A New Journal With Emphasis on Real-World Validation

  • by andreasbender
  • 25/08/2020

An interview with the Editor-In-Chief of Applied AI Letters, Dr Edward Pyzer-Knapp from IBM Research… Read More »‘Applied AI Letters’ – A New Journal With Emphasis on Real-World Validation

Special Issue on Applications of Machine Learning and Artificial Intelligence in NMR – Invitation to Contribute

  • by andreasbender
  • 20/08/202020/08/2020

Guest contribution by Stefan Kuhn, De Montfort University To ensure that our community receives the… Read More »Special Issue on Applications of Machine Learning and Artificial Intelligence in NMR – Invitation to Contribute

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

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AndreasBenderUKAndreas Bender 🇩🇪 🇮🇪 🇬🇧 🇺🇸 🇮🇳 🇳🇱 🇪🇺@AndreasBenderUK·
23 Jul

New Cambridge Cheminformatics Newsletter is out!

With 25+ vacancies, and other information from in and around the cheminformatics area

http://www.drugdiscovery.net/2021/07/22/cambridge-cheminformatics-newsletter-22-july-2021/

If you have information to include in the future please let me know, cheers! Andreas

#cheminformatics #drugdiscovery

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mikegouldenMichael Goulden@mikegoulden·
30 Jun

This is my mum, she’s 83 and has got dementia. She met my dad in 1962 when she worked for the British Army as a translator. My dad was in the Royal Artillery. They moved back to England in late 1962 and got married. My sister was born in 1963 and I was born in 1966. She worked

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DShaywitzDavid Shaywitz@DShaywitz·
22 Jun

To re-emphasize: anyone in tech/data sci contemplating any biological application must read this brilliant, vital 2-part series on AI+drug discovery by @AndreasBenderUK @isidrolauscher (https://buff.ly/3j2b8wH, https://buff.ly/3gVwt8b). cc @kasshout @dramyabernethy @peteratmsr

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

Reminder: The next Cambridge Cheminformatics Meeting is Coming Soon, on 2 June!

Registration is still open, join us here: https://zoom.us/meeting/register/tJctduyuqTwuHNAQZvuxaTCe_IU0Rzdj4X3Q

@StevenKearnes @nick_lynch @PistoiaAlliance @ccdc_cambridge

#cheminformatics #drugdiscovery #AI

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

Deep generative models - how do they behave when combined with structure-based and ligand-based scoring functions?

A closer look at chemistry, binding modes, and performance measures - an interview with the author!

http://www.drugdiscovery.net/2021/05/20/comparison-of-structure-and-ligand-based-scoring-functions-for-deep-generative-models-a-gpcr-case-study-interview-with-the-author/

#drugdiscovery #AI #cheminformatics

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