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PotentialNet for Molecular Property Prediction
[Image: see text] The arc of drug discovery entails a multiparameter optimization problem spanning vast length scales. The key parameters range from solubility (angstroms) to protein–ligand binding (nanometers) to in vivo toxicity (meters). Through feature learning—instead of feature engineering—dee...
| Autores principales: | , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6276035/ https://www.ncbi.nlm.nih.gov/pubmed/30555904 http://dx.doi.org/10.1021/acscentsci.8b00507 |