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Molecular Informatics

Volumn 37, Issue 1, 2018, Pages

Application of Generative Autoencoder in De Novo Molecular Design

(5) Blaschke, Thomas a,b Olivecrona, Marcus a Engkvist, Ola a Bajorath, Jürgen b Chen, Hongming a

a ASTRAZENECA R AND D (Sweden)

b UNIVERSITY OF BONN (Germany)

Author keywords

Autoencoder; chemoinformatics; de novo molecular design; deep learning; inverse QSAR

Indexed keywords

DOPAMINE 2 RECEPTOR;

ACCURACY; ARTICLE; ARTIFICIAL NEURAL NETWORK; BAYES THEOREM; METHODOLOGY; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; DRUG DESIGN;

DEEP LEARNING; DRUG DESIGN; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 85042065313 PISSN: 18681743 EISSN: 18681751 Source Type: Journal
DOI: 10.1002/minf.201700123 Document Type: Article

Times cited : (358)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.