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Generative Recurrent Networks for De Novo Drug Design

Generative artificial intelligence models present a fresh approach to chemogenomics and de novo drug design, as they provide researchers with the ability to narrow down their search of the chemical space and focus on regions of interest. We present a method for molecular de novo design that utilizes...

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Dettagli Bibliografici
Pubblicato in:Mol Inform
Autori principali: Gupta, Anvita, Müller, Alex T., Huisman, Berend J. H., Fuchs, Jens A., Schneider, Petra, Schneider, Gisbert
Natura: Artigo
Lingua:Inglês
Pubblicazione: John Wiley and Sons Inc. 2017
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC5836943/
https://ncbi.nlm.nih.gov/pubmed/29095571
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/minf.201700111
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