CarcinoPred-EL: Novel models for predicting the carcinogenicity of chemicals using molecular fingerprints and ensemble learning methods

Carcinogenicity refers to a highly toxic end point of certain chemicals, and has become an important issue in the drug development process. In this study, three novel ensemble classification models, namely Ensemble SVM, Ensemble RF, and Ensemble XGBoost, were developed to predict carcinogenicity of...

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Detalles Bibliográficos
Autores principales: Zhang, Li, Ai, Haixin, Chen, Wen, Yin, Zimo, Hu, Huan, Zhu, Junfeng, Zhao, Jian, Zhao, Qi, Liu, Hongsheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5437031/
https://www.ncbi.nlm.nih.gov/pubmed/28522849
http://dx.doi.org/10.1038/s41598-017-02365-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5437031/
https://www.ncbi.nlm.nih.gov/pubmed/28522849
http://dx.doi.org/10.1038/s41598-017-02365-0

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