quantitative structure activity relation 10 QSAR 8 Quantitative Structure-Activity Relationship 8 Computational chemistry 7 Humans 5 Quantitative structure activity relationship 5 chemistry 5 human 5 Binding energy 4 Forecasting 4 Molecular Docking Simulation 4 Molecular graphics 4 molecular docking 4 Decision trees 3 Machine learning 3 Proteins 3 Ames test 2 Amyloid betas 2 Amyloid-beta peptides 2 Article 2 Artificial intelligence 2 Chemistry 2 Computational studies 2 Diabetes Mellitus, Type 2 2 Docking 2 Down-stream 2 Drug-target interactions 2 Enzyme Inhibitors 2 G protein coupled receptors 2 G-protein coupled receptors 2