Structure-based maximal affinity model predicts small-molecule druggability.
Abstract
Lead generation is a major hurdle in small-molecule drug discovery, with an estimated 60% of projects failing from lack of lead matter or difficulty in optimizing leads for drug-like properties. It would be valuable to identify these less-druggable targets before incurring substantial expenditure and effort. Here we show that a model-based approach using basic biophysical principles yields good prediction of druggability based solely on the...
Paper Details
Title
Structure-based maximal affinity model predicts small-molecule druggability.
Published Date
Jan 1, 2007
Journal
Volume
25
Issue
1
Pages
71 - 75
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