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PIGNet: a physics-informed deep learning model toward generalized drug–target interaction predictions
Recently, deep neural network (DNN)-based drug–target interaction (DTI) models were highlighted for their high accuracy with affordable computational costs. Yet, the models' insufficient generalization remains a challenging problem in the practice of in silico drug discovery. We propose two key...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8966633/ https://www.ncbi.nlm.nih.gov/pubmed/35432900 http://dx.doi.org/10.1039/d1sc06946b |