Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?

Drug Discovery Today

Volumn 19, Issue 8, 2014, Pages 1069-1080

  Cruz Monteagudo, Maykel ^a,b   Medina Franco, José L ^c   Pérez Castillo, Yunierkis ^b   Nicolotti, Orazio ^d   Cordeiro, M Natália D S ^a   Borges, Fernanda ^a  

^a UNIVERSITY OF PORTO   (Portugal)

^b CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^c MAYO CLINIC   (United States)

^d UNIVERSITY OF BARI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL MODIFICATION; DRUG DEVELOPMENT; DRUG STRUCTURE; GENETIC ALGORITHM; LEARNING ALGORITHM; MACHINE LEARNING; MEDICINAL CHEMISTRY; NOISE REDUCTION; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; SUPPORT VECTOR MACHINE; ALGORITHM; BIOLOGY; HUMAN; PROCEDURES; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; CHEMISTRY, PHARMACEUTICAL; COMPUTATIONAL BIOLOGY; DRUG DISCOVERY; HUMANS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84906303709     PISSN: 13596446     EISSN: 18785832     Source Type: Journal    
DOI: 10.1016/j.drudis.2014.02.003     Document Type: Review

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