QuinonePred

QuinonePred is a machine learning based tool. This tool can predict whether a small drug-like molecule can produce reactive metabolites of the quinone type during metabolism or not. For making prediction user will need an .sdf file containing structural information of query molecule/molecules.

This tool is available as web application or user can access following repository from github to make predictions This is one of many tools developed in our lab. Our lab is focused on solving the problems faced in drug discovery with the help of computational tools such as AI, Molecular Modeling, Molecular Dynamics etc.