XGBoost odor prediction model: finding the structure-odor relationship of odorant molecules using the extreme gradient boosting algorithm.

Tyagi, Pankaj; Sharma, Anju; Semwal, Rahul; Tiwary, Uma Shanker; Varadwaj, Pritish Kumar

Tyagi, Pankaj; Sharma, Anju; Semwal, Rahul; Tiwary, Uma Shanker; Varadwaj, Pritish Kumar.

Afiliación

Tyagi P; Department of Information Technology, Indian Institute of Information Technology Allahabad, Allahabad, India.
Sharma A; Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), Mohali, India.
Semwal R; Department of Computer Sciences & Engineering, Indian Institute of Information Technology Nagpur, Nagpur, India.
Tiwary US; Department of Information Technology, Indian Institute of Information Technology Allahabad, Allahabad, India.
Varadwaj PK; Department of Bioinformatics and Applied Sciences, Indian Institute of Information Technology Allahabad, Allahabad, India.

J Biomol Struct Dyn ; : 1-12, 2023 Sep 18.

Article en En | MEDLINE | ID: mdl-37723894

Palabras clave

Olfaction; XGBoost; machine learning; odor perception; structure odor relationship

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Diagnostic_studies / Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido

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