Molecular Design

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

Sunday, 30 November 2025

Covalent ligand efficiency

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It appears that whoever first described Economics as the ‘Dismal Science’ had never encountered a ligand efficiency metric. I’ll be taking a...
Tuesday, 5 August 2025

Return to Flatland

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Whoever first referred to Economics as ‘The Dismal Science’ had clearly never read an article on ‘3Dness’ in drug discovery.  My own experie...
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Sunday, 6 July 2025

Assembling data sets for training ML bioactivity models

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Here’s a photo from one of my exercise walks in Paramin and you can see the Caribbean Sea in the distance. This is perhaps my favourite view...
Tuesday, 1 April 2025

Property Forecast Index Validated

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<< previous || next >> I arrived in Korea on Friday night and am greatly enjoying it here. Photos below show the Jungbu Dried S...
Sunday, 9 March 2025

Thinking About Aqueous Solvation

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Given that it was International Women's Day yesterday, I'll open the the post (and blogging for 2025) with a photo of a gravestone a...
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