Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed?

Future Medicinal Chemistry

Volumn 8, Issue 15, 2016, Pages 1801-1806

  Tetko, Igor V ^a,b   Engkvist, Ola ^c   Chen, Hongming ^c  

^a INSTITUTE OF EPIDEMIOLOGY   (Germany)

^b BigChem GmbH   (Germany)

^c ASTRAZENECA R AND D   (Sweden)

Author keywords

applicability domain; Big Data; chemoinformatics; education in chemistry and informatics; local and global models; multitask learning; neural networks; virtual chemical spaces

Indexed keywords

WATER;

DATA ANALYSIS; HUMAN; INFORMATION SCIENCE; LEARNING; MEDICINAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; REVIEW; SOLUBILITY; TRAINING;

EID: 84990174113     PISSN: 17568919     EISSN: 17568927     Source Type: Journal    
DOI: 10.4155/fmc-2016-0163     Document Type: Review

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