Dataset for "Machine Learning for Polymer Chemical Resistance to Organic Solvents"

This dataset accompanies the paper "Machine Learning for Polymer Chemical Resistance to Organic Solvents" (arXiv:2509.05344). ## Included Files - **chemical_resistance_dataset.csv** (~20 MB): Main experimental dataset containing 2231 polymer-solvent combinations with chemical resistance labels and molecular descriptors.- **chemical_resistance_dataset.xlsx**: Excel version of the main dataset.- **chemical_resistance_metadata.json** (~68 KB): Metadata including polymer/solvent naming dictionaries and feature column definitions.- **polymer_mpk_dataset.csv** (~285 MB): Virtual polymer dataset (40971 records).- **pe_solvent_dataset.csv** (~65 MB): Polyethylene virtual solvent dataset (9828 records). ## Data Sources ### polymer_mpk_dataset.csvThis dataset is based on PolyOmics:- Hugging Face: https://huggingface.co/datasets/yhayashi1986/PolyOmics- Related paper: arXiv:2511.11626 ### pe_solvent_dataset.csvThe solvent SMILES data is derived from HSPiP (Hansen Solubility Parameters in Practice):- https://www.pirika.com/wp/chemistry-at-pirika-com/hsp/how2buy- Note: The HSP values themselves are not used in this study. ## Code Repository The analysis code is available on GitHub:https://github.com/s-kunieda-1015/analysis-polymer-chemical-resistance ## Related Publication arXiv: https://arxiv.org/abs/2509.05344 ## License This dataset is provided under CC BY 4.0 license.