Molecular Design

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

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  (...
Wednesday, 27 May 2026

Grand Challenges for Predictive Modeling in Small Molecule Drug Discovery

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In this blog post I’ll be taking a look at  C2026 (Grand Challenges for Predictive Modeling in Small Molecule Drug Discovery) which has bee...
Wednesday, 20 May 2026

The objectives of drug design

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I'll open the post on drug design objectives with photos from a most enjoyable and informative visit to the Australian Synchrotron early...
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...
Wednesday, 1 April 2026

PAINS and Prejudice

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<< previous || next >> PAINS ( p an a ssay in terference compound s ) filters have exerted a hold over the drug discovery commu...
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Wednesday, 31 December 2025

Hit to Lead best practice?

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I'm now in Trinidad and I'll share a 180° panorama from Paramin where I walk for exercise. This district in Trinidad's Northern ...
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