A theoretical entropy score as a single value to express inhibitor selectivity

Abstract

Designing maximally selective ligands that act on individual targets is the dominant paradigm in drug discovery. Poor selectivity can underlie toxicity and side effects in the clinic, and for this reason compound selectivity is increasingly monitored from very early on in the drug discovery process. To make sense of large amounts of profiling data, and to… (More)
DOI: 10.1186/1471-2105-12-94

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