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