Assessment of a rule-based virtual screening technology (INDDEx) on a benchmark data set

Journal of Physical Chemistry B

Volumn 116, Issue 23, 2012, Pages 6732-6739

  Reynolds, Christopher R ^a,b   Amini, Ata C ^b   Muggleton, Stephen H ^a,b   Sternberg, Michael J E ^a,b  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b Equinox Pharma Ltd   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

SCAFFOLDS;

ACTIVE COMPOUNDS; ACTIVE MOLECULES; BENCHMARK DATA; DATA SETS; DRUG DEVELOPMENT; DRUG DISCOVERY; ENRICHMENT FACTORS; LOGICAL RULES; MACHINE LEARNING TECHNIQUES; MOLECULAR DATABASE; QUANTITATIVE MODELS; RETRIEVAL RATE; RULE BASED; VIRTUAL SCREENING;

LIGANDS;

EID: 84862295465     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp212084f     Document Type: Article

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