Molecular diversity and representativity in chemical databases

Journal of Chemical Information and Computer Sciences

Volumn 39, Issue 1, 1999, Pages 1-10

  Bayada, Denis M ^a   Hamersma, Hans ^a   Van Geerestein, Vincent J ^a  

^a NV ORGANON   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; DATABASE SYSTEMS; NEURAL NETWORKS; NUMERICAL METHODS; QUANTUM THEORY;

BIOLOGICAL ACTIVITIES; MOLECULAR DIVERSITY SELECTION METHODS;

MOLECULAR STRUCTURE;

EID: 0032632418     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci980109e     Document Type: Article

References (8)

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3. Hassan, M.; Bielawaski, J. P.; Hempel, J. C.; Waldman, M. Optimization and visualization of molecular diversity of combinatorial libraries. Mol. Diversity 1996, 2, 64-74.
4. Matter, H. Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors J. Med. Chem. 1997, 40, 1219-1229.
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