Scikit-fingerprints: Easy and efficient computation of molecular fingerprints in Python
In this work, we present scikit-fingerprints, a Python package for computation of molecular fingerprints for applications in chemoinformatics. Our library offers an industry-standard scikit-learn interface, allowing intuitive usage and easy integration with machine learning pipelines. It is also hig...
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| Principais autores: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2024-12-01
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| coleção: | SoftwareX |
| Assuntos: | |
| Acesso em linha: | http://www.sciencedirect.com/science/article/pii/S2352711024003145 |
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