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

Abstract 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 carcinogen...

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Autores principales: Li Zhang, Haixin Ai, Wen Chen, Zimo Yin, Huan Hu, Junfeng Zhu, Jian Zhao, Qi Zhao, Hongsheng Liu
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/6f9317f3cd354de29a7d7ea285141a8b
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