Autocorrelation Chemical composition Chemical compositions Computational chemistry Decision trees Dissociation Drug targets Drug-target interactions Drug–target affinity Drug–target interactions Forecasting High-accuracy Ligands Molecular Docking Simulation Molecular descriptors Molecular graphics Molecular vibrations Molecules Pharmaceutical Preparations Prediction modelling Quantitative Structure-Activity Relationship Quantitative prediction Quantitative structure activity relationship Random forest Random forests Vibration drug ligand molecular docking quantitative structure activity relation