Generative topographic mapping-based classification models and their applicability domain: Application to the biopharmaceutics drug disposition classification system (BDDCS)

Journal of Chemical Information and Modeling

Volumn 53, Issue 12, 2013, Pages 3318-3325

  Gaspar, Héléna A ^a   Marcou, Gilles ^a   Horvath, Dragos ^a   Arault, Alban ^b   Lozano, Sylvain ^b   Vayer, Philippe ^b   Varnek, Alexandre ^a  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b INSTITUT DE RECHERCHES INTERNATIONALES SERVIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DATA VISUALIZATION; ENTROPY; MAPPING;

BIOPHARMACEUTICS; CLASSIFICATION MODELS; CLASSIFICATION SYSTEM; D-DIMENSIONAL SPACES; DESCRIPTORS; GENERATIVE TOPOGRAPHIC MAPPING; INFORMATIONAL ENTROPY; MOLECULAR DESCRIPTORS;

CLASSIFICATION (OF INFORMATION);

BIOLOGICAL PRODUCT; NEW DRUG; PRESCRIPTION DRUG;

ALGORITHM; ARTICLE; CHEMISTRY; CLASSIFICATION; COMPUTER PROGRAM; DRUG DATABASE; ENTROPY; HUMAN; PHARMACEUTICS; SOLUBILITY; STATISTICAL MODEL;

ALGORITHMS; BIOLOGICAL PRODUCTS; BIOPHARMACEUTICS; DATABASES, PHARMACEUTICAL; DRUGS, INVESTIGATIONAL; ENTROPY; HUMANS; MODELS, STATISTICAL; PRESCRIPTION DRUGS; SOFTWARE; SOLUBILITY;

EID: 84896519769     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400423c     Document Type: Article

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