Chemical data visualization and analysis with incremental generative topographic mapping: Big data challenge

Journal of Chemical Information and Modeling

Volumn 55, Issue 1, 2015, Pages 84-94

  Gaspar, Héléna A ^a   Baskin, Igor I ^a,b,c   Marcou, Gilles ^a   Horvath, Dragos ^a   Varnek, Alexandre ^a,c  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

^c KAZAN FEDERAL UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BIG DATA; CHEMICAL ANALYSIS; MAPPING; PROBABILITY DISTRIBUTIONS; VECTOR SPACES; VISUALIZATION;

AQUEOUS SOLUBILITY; BHATTACHARYYA COEFFICIENT; EUCLIDEAN DISTANCE; GENERATIVE TOPOGRAPHIC MAPPING; INDIVIDUAL OBJECTS; PHYSICAL AND CHEMICAL PROPERTIES; PHYSICO-CHEMICAL PROFILES; VISUALIZATION AND ANALYSIS;

DATA VISUALIZATION;

MOLECULAR LIBRARY;

ALGORITHM; CHEMICAL DATABASE; COMPUTER INTERFACE; ENTROPY; MOLECULAR LIBRARY; SOLUBILITY;

ALGORITHMS; DATABASES, CHEMICAL; ENTROPY; SMALL MOLECULE LIBRARIES; SOLUBILITY; USER-COMPUTER INTERFACE;

EID: 84921689992     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500575y     Document Type: Article

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