Molecular Design

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

Showing posts with label ML. Show all posts
Showing posts with label ML. Show all posts
Monday, 27 July 2026

The OpenADMET initiative

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“Quantity has a quality all of its own” Original source unknown The quote with which I’ve opened the post on the OpenADMET initiative is of...
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, 3 June 2026

Two new open data initiatives

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I'll open the post with photos that I took in Seoul last year at the Dongdaemun Design Plaza ( DDP ) which was designed by Zaha Hadid  (...
Tuesday, 21 April 2026

Comparing ML models in small molecule drug discovery

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To start the post I'll share a photo that I took in 2012 of incense sticks at the Truc Lam pagoda near Da Lat. Not long after taking thi...
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