2011•Journal of Computer-Aided Molecular DesignRequires access

Design of a Fragment Library that maximally represents available chemical space

Michèle N. Schulz, Jens Landström, K. Bright, Roderick E. Hubbard

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Key concepts: Cheminformatics, Fragment (logic), Chemical space, Similarity (geometry), Computer science, Set (abstract data type), Drug discovery, Information retrieval

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