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

Internet

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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