Exploring Deep Learning of Quantum Chemical Properties for Absorption, Distribution, Metabolism, and Excretion Predictions.

Lim, Megan A; Yang, Song; Mai, Huanghao; Cheng, Alan C

Lim, Megan A; Yang, Song; Mai, Huanghao; Cheng, Alan C.

Afiliação

Lim MA; Computational and Structural Chemistry, Merck & Co., Inc., South San Francisco, California 94080, United States.
Yang S; Computational and Structural Chemistry, Merck & Co., Inc., South San Francisco, California 94080, United States.
Mai H; Computational and Structural Chemistry, Merck & Co., Inc., South San Francisco, California 94080, United States.
Cheng AC; Computational and Structural Chemistry, Merck & Co., Inc., South San Francisco, California 94080, United States.

J Chem Inf Model ; 62(24): 6336-6341, 2022 12 26.

Article em En | MEDLINE | ID: mdl-35758421

Assuntos

Aprendizado Profundo; Animais; Ratos; Redes Neurais de Computação; Descoberta de Drogas; Transporte Biológico

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Aprendizado Profundo Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Animals Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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