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Tetko, I.V. ; Engkvist, O.* ; Chen, H.*

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

Future Med. Chem. 8, 1801-1806 (2016)
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Open Access Green
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Publication type Article: Journal article
Document type Review
Corresponding Author
Keywords Applicability Domain ; Big Data ; Chemoinformatics ; Education In Chemistry And Informatics ; Local And Global Models ; Multitask Learning ; Neural Networks ; Virtual Chemical Spaces; Drug-like Compounds; Bioactivity Data; Chemical Space; Prediction; Design; Point; Solubility; Discovery; Model
ISSN (print) / ISBN 1756-8927
e-ISSN 1756-8919
Journal Future medicinal chemistry
Quellenangaben Volume: 8, Issue: 15, Pages: 1801-1806 Article Number: , Supplement: ,
Publisher Future Science
Publishing Place London
Non-patent literature Publications
Reviewing status Peer reviewed
Institute(s) Institute of Structural Biology (STB)