Identification of diverse database subsets using property-based and fragment-based molecular descriptions

Quantitative Structure-Activity Relationships

Volumn 21, Issue 6, 2002, Pages 598-604

  Ashton, Mark ^a   Barnard, John ^b   Casset, Florence ^c   Charlton, Michael ^a   Downs, Geoffrey ^b   Gorse, Dominique ^c   Holliday, John ^d   Lahana, Roger ^c   Willett, Peter ^d  

^a EVOTEC UK LTD   (United Kingdom)

^b Barnard Chemical Information Ltd   (United Kingdom)

^c Synt:em   (France)

^d UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

Diversity; Molecular diversity analysis; Structural diversity; Subset selection

Indexed keywords

ARTICLE; CALCULATION; DATA BASE; MOLECULAR BIOLOGY; PRIORITY JOURNAL; RANDOMIZATION;

EID: 0036995033     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200290002     Document Type: Article

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