Drug discovery

The dataset is derived from the ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) domain, which plays a crucial role in drug discovery and development. This dataset comprises a comprehensive collection of chemical compounds with associated ADMET properties, providing a rich resource for evaluating the efficacy of machine learning models in predicting drug behavior. Specifically, the dataset includes diverse features representing molecular structures, physicochemical properties, and biological activity profiles, allowing for robust modeling of classification tasks.