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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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Lu Paris

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Open access Jul 2026

Chemical Distance-Based Acceleration of Large Library Docking with ChemSTEP

A similarity-based prioritization approach, ChemSTEP, is introduced, and the effective size of a library treated by any prioritization algorithm, Neff is defined, which suggests trillion-molecule libraries might be in reach with this approach.

Olivier Mailhot, Katie L. Holland, Lu Paris et al. · 0 citations

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