I have 5000 SMILES strings in my dataset. I convert each SMILES string into Molecular Descriptors (such as RDKit Molecular Descriptor, Morgan Descriptor, and Estate Descriptor). Then, I predict various molecular properties such as HOMO-LUMO interaction gap, Dipole Moment, Polarizability, and Solubility by applying different machine learning algorithms.
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prediction of different molecular property (HOMO-LUMO interaction gap,Dipole Moment ,polarisibility,Solubility)by allpying different ML algorithmn
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