Datasets:

Tassy24
/

K-Paths-inductive-reasoning-drugbank

pretty_name: DrugBank Inductive Reasoning
license: apache-2.0
annotations_creators:
  - no-annotation
language:
  - en
task_categories:
  - question-answering
  - text-generation

🔗 This dataset is part of the study:

K-Paths: Reasoning over Graph Paths for Drug Repurposing and Drug Interaction Prediction

📖 Read the Paper
💾 GitHub Repository

DrugBank: Inductive Reasoning Dataset

This dataset contains drug pairs annotated with 86 pharmacological relationships (e.g.,DrugA may increase the anticholinergic activities of DrugB). Each entry includes two drugs, an interaction label, drug descriptions, and structured/natural language representations of multi-hop reasoning paths between them. The multi-hop paths were extracted from a biomedical knowledge graph (Hetionet) using K-Paths.

This dataset is useful for evaluating:

Path-based biomedical reasoning
Knowledge graph inference
Inductive reasoning

💡 Columns

Column	Description
`drug1_db`, `drug2_db`	DrugBank IDs
`drug1_id`, `drug2_id`	Node IDs in the KG
`drug1_name`, `drug2_name`	Names of the drugs
`drug1_desc`, `drug2_desc`	Drug descriptions
`label`	Natural language description of the interaction
`label_idx`	Numeric encoding of the label
`all_paths`, `all_paths_str`, `path_str`	Reasoning paths through the KG

📦 Example Record

{
  "drug1_name": "Glycopyrronium",
  "drug2_name": "Cyclopentolate",
  "label": "Glycopyrronium may increase the anticholinergic effect...",
  "path_str": "Glycopyrronium (Compound) resembles Homatropine (Compound)..."
}

## 📥 How to Load with pandas

```python
import pandas as pd

splits = {
    "train": "drugbank/train.json",
    "test": "drugbank/test.json"
}

train = pd.read_json("hf://datasets/Tassy24/K-Paths-inductive-reasoning-drugbank/" + splits["train"], lines=True)
test = pd.read_json("hf://datasets/Tassy24/K-Paths-inductive-reasoning-drugbank/" + splits["test"], lines=True)


### 📜 Citation (BibTeX)

```bibtex
@article{abdullahi2025k,
  title={K-Paths: Reasoning over Graph Paths for Drug Repurposing and Drug Interaction Prediction},
  author={Abdullahi, Tassallah and Gemou, Ioanna and Nayak, Nihal V and Murtaza, Ghulam and Bach, Stephen H and Eickhoff, Carsten and Singh, Ritambhara},
  journal={arXiv preprint arXiv:2502.13344},
  year={2025}
}