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Structure-based maximal affinity model predicts small-molecule druggability

NATURE BIOTECHNOLOGY, no. 1 (2007): 71.0-75

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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-base...更多

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