Molecular Design
Controlling the behavior of compounds and materials by manipulation of molecular properties.
Tuesday, 24 January 2017
PAINS and editorial policy
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<< previous || next >> I have blogged previously ( 1 | 2 | 3 | 4 | 5 ) on PAINS. In this post, I present the case agai...
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Friday, 6 January 2017
Confessions of a Units Nazi
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Regular readers (both of them) of this blog will know that I have an interest, which some might term an obsession, with units. At high scho...
Sunday, 12 June 2016
PAINS: a question of applicability domain?
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<< previous || next >> As most readers of this blog will know, analysis of large (often proprietary) data sets is very mu...
Friday, 3 June 2016
Yet more on ligand efficiency metrics
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In this post, I'll be responding to a couple of articles in the literature that cited our gentle critique of ligand efficiency metrics...
Sunday, 22 May 2016
Sailor Malan's guide to fragment screening library design
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Today I'll take a look at a JMC Perspective on design principles for fragment libraries that is intended to provide advice for academi...
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