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An idiot’s guide to lead optimisation for proteins

magnusross.github.io 17 min read

Lead optimisation is the step in drug design where you take a molecule that sort of works and try to make it actually work, and it’s arguably the step where most real-world design campaigns succeed or die. Due to the influence of a couple of my pals , I have recently become interested in using machine learning to do…
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Science & SpaceSoftware Engineering2026

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May 11, 2026An idiot’s guide to lead optimisation for proteins by magni12117616

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