Dataset of Tareq Index (TI) and Classical Topological Indices for Drug-like Molecules

This dataset contains the calculated values of the Tareq Index (TI), a novel graph-based descriptor for chemical compounds, alongside classical topological indices such as the first Zagreb index, second Zagreb index, and Randic index. The dataset is designed to support research in cheminformatics, quantitative structure–activity relationships (QSAR), and molecular graph theory. A collection of drug-like molecules was processed using the RDKit library to generate molecular graphs and compute both TI and conventional indices. The dataset offers researchers a new benchmark for comparing the Tareq Index with existing descriptors in predicting physicochemical and biological properties.