ivanovaml/

TDP1_targetsInhibitors_CID_SID_IUPACs_functionalGroups

The TDP1_targetsInhibitors_CID_SID_IUPACs_functionalGroups dataset is a part of the study "Leveraging of the IUPAC Names and Machine Learning for Assisting Drug Discovery and Development, demonstrated on the Case of Human Tyrosyl-DNA Phosphodiesterase 1 (TDP1) Inhibitors" https://doi.org/10.48550/arXiv.2503.05591

This dataset had been leveraged for computations, such as:

determine the most or least desirable functional… See the full description on the dataset page: https://huggingface.co/datasets/ivanovaml/TDP1_targetsInhibitors_CID_SID_IUPACs_functionalGroups.