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Comprehensive Exploration of Target‐specific Ligands Using a Graph Convolution Neural Network
Machine learning approaches are widely used to evaluate ligand activities of chemical compounds toward potential target proteins. Especially, exploration of highly selective ligands is important for the development of new drugs with higher safety. One difficulty in constructing well‐performing model...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7050504/ https://www.ncbi.nlm.nih.gov/pubmed/31815371 http://dx.doi.org/10.1002/minf.201900095 |