A Computational Software for Training Robust Drug-Target Affinity Prediction Models: pydebiaseddta.

Barsbey, MelIh; ÖZçelIk, Riza; Bag, Alperen; Atil, Berk; ÖZgür, Arzucan; Ozkirimli, Elif

Barsbey, MelIh; ÖZçelIk, Riza; Bag, Alperen; Atil, Berk; ÖZgür, Arzucan; Ozkirimli, Elif.

Afiliação

Barsbey M; Department of Computer Engineering, Bogaziçi University, Istanbul, Turkey.
ÖZçelIk R; Department of Computer Engineering, Bogaziçi University, Istanbul, Turkey.
Bag A; Technical University of Munich, Munich, Germany.
Atil B; Department of Computer Engineering, Bogaziçi University, Istanbul, Turkey.
ÖZgür A; Department of Computer Engineering, Bogaziçi University, Istanbul, Turkey.
Ozkirimli E; Roche Informatics, F. Hoffmann-La Roche AG, Basel, Switzerland.

J Comput Biol ; 30(11): 1240-1245, 2023 11.

Article em En | MEDLINE | ID: mdl-37988394

Assuntos

Linguagens de Programação; Software; Proteínas; Descoberta de Drogas

Palavras-chave

computational drug discovery; drugtarget affinity; importance weighting; out-of-distribution generalization; spurious correlation; virtual drug screening

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Linguagens de Programação / Software Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Linguagens de Programação / Software Idioma: En Ano de publicação: 2023 Tipo de documento: Article