license:cc-by-sa-4.0 size_categories:1K<n<10K format:csv modality:tabular modality:text library:datasets library:pandas library:mlcroissant library:polars region:us
---
configs:
- config_name: default
  data_files:
  - split: train
    path: train_data.csv
  - split: validation
    path: valid_data.csv
  - split: test
    path: test_data.csv
license: cc-by-sa-4.0
---

Dataset Card for ESol (Estimated Solubility) Dataset

Dataset Summary

The ESOL dataset is designed for estimating the aqueous solubility
of chemical compounds directly from their molecular structure.
This dataset includes 2,874 experimentally measured solubility
values. The most significant features for predicting solubility
include calculated octanol-water partition coefficient (logP),
molecular weight, the proportion of heavy atoms in aromatic systems,
and the number of rotatable bonds.