ADMET

Citation Author(s):
Hadi
Salloum
Innopolis University
Submitted by:
Hadi Salloum
Last updated:
Sun, 10/06/2024 - 14:52
DOI:
10.21227/t63x-wx13
License:
118 Views
Categories:
Keywords:
0
0 ratings - Please login to submit your rating.

Abstract 

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.

Instructions: 

Ensure all datasets are stored in the alldatasets directory. The method for generating these datasets is explained in the paper.