Molecular Design

Controlling the behavior of compounds and materials by manipulation of molecular properties.

Showing posts with label machine learning. Show all posts
Showing posts with label machine learning. Show all posts
Monday, 22 June 2026

The OpenBind initiative

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I’ll open the post on the OpenBind initiative with photos from my visit last year to Korea which was timed to coincide with the cherry blos...
Wednesday, 27 September 2023

Five days in Vermont

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A couple of months ago I enjoyed a visit to the US (my first for eight years) on which I caught up with old friends before and after a few d...
Wednesday, 29 May 2019

Transforming computational drug discovery (but maybe not)

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"A theory has only the alternative of being right or wrong. A model has a third possibility: it may be right, but irrelevant." ...
2 comments:
Monday, 21 January 2019

Response to Pat Walters on ML in drug discovery

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Thanks again for your response , Pat, and I’ll try to both clarify my previous comments and respond to the challenges that you’ve presented...
Thursday, 17 January 2019

Thoughts on AI in Drug Discovery - A Practical View From the Trenches

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I’ll be taking a look at machine learning (ML) in this post which was prompted by AI in Drug Discovery - A Practical View From the Trench...
1 comment:
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