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Lipophilicity prediction of peptides and peptide derivatives by consensus machine learning

Lipophilicity prediction is routinely applied to small molecules and presents a working alternative to experimental log P or log D determination. For compounds outside the domain of classical medicinal chemistry these predictions lack accuracy, advocating the development of bespoke in silico approac...

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Опубликовано в: :Medchemcomm
Главные авторы: Fuchs, Jens-Alexander, Grisoni, Francesca, Kossenjans, Michael, Hiss, Jan A., Schneider, Gisbert
Формат: Artigo
Язык:Inglês
Опубликовано: Royal Society of Chemistry 2018
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Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC6151477/
https://ncbi.nlm.nih.gov/pubmed/30288227
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8md00370j
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