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Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks

Simple physico-chemical properties, like logD, solubility, or melting point, can reveal a great deal about how a compound under development might later behave. These data are typically measured for most compounds in drug discovery projects in a medium throughput fashion. Collecting and assembling al...

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Detalles Bibliográficos
Autores principales:	Montanari, Floriane, Kuhnke, Lara, Ter Laak, Antonius, Clevert, Djork-Arné
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6982787/ https://www.ncbi.nlm.nih.gov/pubmed/31877719 http://dx.doi.org/10.3390/molecules25010044

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