DeltaDelta neural networks for lead optimization of small molecule potency

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Authors: José Jiménez-Luna, Laura Pérez-Benito, Gerard Martínez-Rosell, Simone Sciabola, Rubben Torella, Gary Tresadern, Gianni De Fabritiis

Journal title: Chemical Science

Journal number: 10/47

Journal publisher: Royal Society of Chemistry

Published year: 2019

Published pages: 10911-10918

DOI identifier: 10.1039/c9sc04606b

ISSN: 2041-6520