Raw data for the study titled "Large-scale ligand-based predictive modelling using support vector machines" and available at https://pharmb.io/publication/2016-large-scale-svm and http://dx.doi.org/10
This dataset is a part of supplemental data in arXiv:2402.18433. Dataset columns are noted belowmolecule_formuladsgdb_idx(The name of molecule)nmr_shiftatomic_numberx,y,z(atoms positions)energy(ene
In this study, we proposed a strategy that combines the fragment contribution corresponding states (FCCS) and free volume theory (FVT) method, namely FCCS–FVT, to calculate the viscosities of ionic li
