QSAR toolbox for myself #RDKit #Chemoinformatics

I often work with SDF to build some QSAR models. Data preparation process is almost same. So I decided to make tool box for myself. It is not complex code, very simple.https://github.com/iwatobipen/QSAR_TOOLBOX Current code has two main scripts. One is finger print generator and another is model builder and optimizer which make SVM, RF andContinue reading “QSAR toolbox for myself #RDKit #Chemoinformatics”