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CRNNTL: Convolutional Recurrent Neural Network and Transfer Learning for QSAR Modeling in Organic Drug and Material Discovery

Molecular latent representations, derived from autoencoders (AEs), have been widely used for drug or material discovery over the past couple of years. In particular, a variety of machine learning methods based on latent representations have shown excellent performance on quantitative structure–activ...

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Detalles Bibliográficos
Autores principales:	Li, Yaqin, Xu, Yongjin, Yu, Yi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8658888/ https://www.ncbi.nlm.nih.gov/pubmed/34885843 http://dx.doi.org/10.3390/molecules26237257

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