Metadata-Version: 2.4
Name: arka_descriptors
Version: 0.1.0
Summary: The components of this module can be used for ARKA descriptors calculation (ARKA_1 and ARKA_2).
License: Apache License 2.0
Requires-Python: >=3.10.4
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: pandas==2.3.3
Dynamic: license-file

# arka

The components of this module can be used for ARKA descriptors calculation (ARKA_1 and ARKA_2).  
It is a crucial module for cheminformatics applications.

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## 🚀 Installation

```bash
pip install arka_descriptors
```

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## 📌 Usage

This module supports computation of ARKA descriptors:

- ARKA_1 and ARKA_2 

---

## 🧪 Getting Started

```python
import pandas as pd
from arka import arka_descriptor

# Load data
tr = pd.read_excel('train.xlsx', index_col=0)
te = pd.read_excel('test.xlsx', index_col=0)

# Compute descriptors
training_arka, test_arka = arka_descriptor(tr, te).calculate_descriptors()

```

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## 📖 Citation

If you use this module, please cite:

> Banerjee, A. and Roy, K., 2024.  
> *ARKA: a framework of dimensionality reduction for machine-learning classification modeling, risk assessment, and data gap-filling of sparse environmental toxicity data.*  
> Environmental Science: Processes & Impacts. 
> https://doi.org/10.1039/D4EM00173G

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## 📜 License

Apache License 2.0
