Similarity boosted quantitative structure-activity relationship - A systematic study of enhancing structural descriptors by molecular similarity

Journal of Chemical Information and Modeling

Volumn 53, Issue 5, 2013, Pages 1017-1025

  Girschick, Tobias ^a   Almeida, Pedro R ^b   Kramer, Stefan ^c   Staìšlring, Jonna ^d  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b Avenida Infante D Henrique n 145   (Portugal)

^c JOHANNES GUTENBERG UNIVERSITY   (Germany)

^d ASTRAZENECA R AND D   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER PROGRAMMING; LEARNING ALGORITHMS; PETROLEUM RESERVOIR EVALUATION; STRUCTURES (BUILT OBJECTS);

EXPERIMENTAL EVALUATION; MOLECULAR DESCRIPTORS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; STATISTICAL LEARNING; STRUCTURAL DESCRIPTORS; STRUCTURAL DIVERSITY; TOXICOLOGICAL RESPONSE;

COMPUTATIONAL CHEMISTRY;

INFORMATION SCIENCE; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TOXICOLOGY; ARTICLE; METHODOLOGY;

INFORMATICS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TOXICOLOGY;

EID: 84878167434     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300182p     Document Type: Article

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