A small step toward generalizability: training a machine learning scoring function for structure-based virtual screening
Over the past few years, many machine learning-based scoring functions for predicting the binding of small molecules to proteins have been developed. Their objective is to approximate the distribution which takes two molecules as input and outputs the energy of their interaction. Only a scoring func...
| Autores principales: | , , , , , , , , , , |
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| Formato: | Journal article |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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