DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment.

Lehner, Marc T; Katzberger, Paul; Maeder, Niels; Schiebroek, Carl C G; Teetz, Jakob; Landrum, Gregory A; Riniker, Sereina.

Afiliação

Lehner MT; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.
Katzberger P; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.
Maeder N; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.
Schiebroek CCG; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.
Teetz J; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.
Landrum GA; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.
Riniker S; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.

J Chem Inf Model ; 63(19): 6014-6028, 2023 Oct 09.

Article em En | MEDLINE | ID: mdl-37738206

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article