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An Inverse QSAR Method Based on a Two-Layered Model and Integer Programming
A novel framework for inverse quantitative structure–activity relationships (inverse QSAR) has recently been proposed and developed using both artificial neural networks and mixed integer linear programming. However, classes of chemical graphs treated by the framework are limited. In order to deal w...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8002091/ https://www.ncbi.nlm.nih.gov/pubmed/33799613 http://dx.doi.org/10.3390/ijms22062847 |