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OnionNet: a Multiple-Layer Intermolecular-Contact-Based Convolutional Neural Network for Protein–Ligand Binding Affinity Prediction
[Image: see text] Computational drug discovery provides an efficient tool for helping large-scale lead molecule screening. One of the major tasks of lead discovery is identifying molecules with promising binding affinities toward a target, a protein in general. The accuracies of current scoring func...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6776976/ https://www.ncbi.nlm.nih.gov/pubmed/31592466 http://dx.doi.org/10.1021/acsomega.9b01997 |