Articles with "qsar method" as a keyword



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An Inverse QSAR Method Based on a Two-Layered Model and Integer Programming

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Published in 2021 at "International Journal of Molecular Sciences"

DOI: 10.3390/ijms22062847

Abstract: 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… read more here.

Keywords: qsar method; two layered; inverse qsar; layered model ... See more keywords