Generating focused molecule libraries for drug discovery with recurrent neural networks

ACS Central Science

Volumn 4, Issue 1, 2018, Pages 120-131

  Segler, Marwin H S ^a   Kogej, Thierry ^b   Tyrchan, Christian ^b   Waller, Mark P ^c  

^a UNIVERSITY OF MÜNSTER   (Germany)

^b ASTRAZENECA R AND D   (Sweden)

^c SHANGHAI UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIA; LIBRARIES; MOLECULES; NATURAL LANGUAGE PROCESSING SYSTEMS;

BIOLOGICAL TARGETS; COMPUTATIONAL STRATEGY; GENERATIVE MODEL; NOVEL MOLECULES; PLASMODIUM FALCIPARUM; SCORING FUNCTIONS; STAPHYLOCOCCUS AUREUS; STATISTICAL LANGUAGE MODELS;

RECURRENT NEURAL NETWORKS;

EID: 85041231217     PISSN: 23747943     EISSN: 23747951     Source Type: Journal    
DOI: 10.1021/acscentsci.7b00512     Document Type: Article

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