A merged molecular representation deep learning method for blood-brain barrier permeability prediction.

Tang, Qiang; Nie, Fulei; Zhao, Qi; Chen, Wei

Tang, Qiang; Nie, Fulei; Zhao, Qi; Chen, Wei.

Afiliación

Tang Q; State Key Laboratory of Southwestern Chinese Medicine Resources, School of Basic Medical Science, Chengdu University of Traditional Chinese Medicine, Chengdu 611137, China.
Nie F; School of Public Health, North China University of Science and Technology, Tangshan 063210, China.
Zhao Q; School of Computer Science and Software Engineering, University of Science and Technology Liaoning, Anshan, 114051, China.
Chen W; State Key Laboratory of Southwestern Chinese Medicine Resources, School of Basic Medical Science, Chengdu University of Traditional Chinese Medicine, Chengdu 611137, China.

Brief Bioinform ; 23(5)2022 09 20.

Article en En | MEDLINE | ID: mdl-36002937

Asunto(s)

Barrera Hematoencefálica; Aprendizaje Profundo; Transporte Biológico; Fármacos del Sistema Nervioso Central/farmacología; Permeabilidad

Palabras clave

SMILES; bloodbrain barrier; deep learning; molecular descriptors and fingerprints; molecular graph

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Barrera Hematoencefálica / Aprendizaje Profundo Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Brief Bioinform Asunto de la revista: BIOLOGIA / INFORMATICA MEDICA Año: 2022 Tipo del documento: Article País de afiliación: China Pais de publicación: Reino Unido

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