Characterization of activity landscapes using 2D and 3D similarity methods: Consensus activity cliffs

Journal of Chemical Information and Modeling

Volumn 49, Issue 2, 2009, Pages 477-491

  Medina Franco, Jose L ^a,b   Martínez Mayorga, Karina ^a   Bender, Andreas ^c   Marín, Ray M ^d   Giulianotti, Marc A ^a   Pinilla, Clemencia ^a   Houghtent, Richard A ^a  

^a TORREY PINES INSTITUTE FOR MOLECULAR STUDIES   (United States)

^b INSTITUTO NACIONAL DE CANCEROLOGÍA   (Mexico)

^c LEIDEN UNIVERSITY   (Netherlands)

^d UNIVERSIDAD NACIONAL DE COLOMBIA   (Colombia)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; GRAPHIC METHODS;

COMBINATORIAL LIBRARY; COMPUTATIONAL MODEL; LANDSCAPE CHARACTERIZATION; LEAD OPTIMIZATION; MOLECULAR ELECTROSTATIC POTENTIALS; SHAPE DESCRIPTORS; STRUCTURAL REPRESENTATION; VIRTUAL SCREENING;

LANDFORMS;

ARTICLE; CHEMICAL STRUCTURE; STRUCTURE ACTIVITY RELATION;

MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 65249087355     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800379q     Document Type: Article

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