size_categories:1K<n<10K format:parquet modality:tabular modality:text library:datasets library:pandas library:mlcroissant library:polars region:us
---
dataset_info:
  features:
  - name: KEGG ID
    dtype: string
  - name: Name
    dtype: string
  - name: Formula
    dtype: string
  - name: PubChem ID
    dtype: int64
  - name: Molecular Weight
    dtype: float64
  - name: LogP
    dtype: float64
  - name: TPSA
    dtype: float64
  - name: Complexity
    dtype: int64
  - name: Hydrogen Bond Donors
    dtype: int64
  - name: Hydrogen Bond Acceptors
    dtype: int64
  - name: SMILES
    dtype: string
  - name: Description
    dtype: string
  - name: Toxicity
    dtype: string
  - name: Drug Information
    dtype: string
  - name: Pharmacodynamics
    dtype: string
  - name: Solubility
    dtype: float64
  - name: pKa
    dtype: float64
  - name: SDF Structure
    dtype: string
  splits:
  - name: train
    num_bytes: 41305681
    num_examples: 9694
  download_size: 16306048
  dataset_size: 41305681
configs:
- config_name: default
  data_files:
  - split: train
    path: data/train-*
---
