https://github.com/rdkit/laplaciannb

LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.
https://github.com/rdkit/laplaciannb

Last synced: about 1 year ago
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LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.

• Host: GitHub
• URL: https://github.com/rdkit/laplaciannb
• Owner: rdkit
• License: bsd-3-clause
• Created: 2022-08-11T08:36:05.000Z (almost 4 years ago)
• Default Branch: main
• Last Pushed: 2025-02-28T09:32:56.000Z (over 1 year ago)
• Last Synced: 2025-03-26T08:22:12.888Z (over 1 year ago)
• Language: Python
• Homepage:
• Size: 181 KB
• Stars: 12
• Watchers: 2
• Forks: 1
• Open Issues: 2
• Metadata Files:
  • Readme: README.md
  • License: license.txt

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README

          
# LaplacianNB



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**LaplacianNB** is a Python module developed at **Novartis AG** for a Naive Bayes classifier for Laplacian modified models based on the scikit-learn Naive Bayes implementation.

This classifier is suitable for binary/boolean data as it uses only indices of the positive bits for prediction. The algorithm was first implemented in Pipeline Pilot and KNIME.

## Features

- Naive Bayes classifier for Laplacian modified models

- Suitable for binary/boolean data

- Efficient prediction using indices of positive bits

## Installation

You can install the package using pip:

```sh

pip install laplaciannb

```

## Literature

```

Nidhi; Glick, M.; Davies, J. W.; Jenkins, J. L. Prediction of biological targets

for compounds using multiple-category Bayesian models trained on chemogenomics

databases. J. Chem. Inf. Model. 2006, 46, 1124– 1133,

https://doi.org/10.1021/ci060003g

Lam PY, Kutchukian P, Anand R, et al. Cyp1 inhibition prevents doxorubicin-induced cardiomyopathy

in a zebrafish heart-failure model. Chem Bio Chem. 2020:cbic.201900741.

https://doi.org/10.1002/cbic.201900741

```

## Authors

Author and maintainer: **Bartosz Baranowski** (bartosz.baranowski@novartis.com)

## Maintainers

- **Bartosz Baranowski** (bartosz.baranowski@novartis.com)

- **Edgar Harutyunyan** (edgar.harutyunyan_ext@novartis.com)

## Changelog

- `v0.6.0` - Move to pdm build

- `v0.5.0` - Initial release

## License

This project is licensed under the BSD 3-Clause License - see the [LICENSE](LICENSE) file for details.