Machine Learning Models Combined with Virtual Screening and Molecular Docking to Predict Human Topoisomerase I Inhibitors

In this work, random forest (RF), support vector machine, k-nearest neighbor and C4.5 decision tree, were used to establish classification models for predicting whether an unknown molecule is an inhibitor of human topoisomerase I (Top1) protein. All these models have achieved satisfactory results, w...

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Detalles Bibliográficos
Autores principales: Li, Bingke, Kang, Xiaokang, Zhao, Dan, Zou, Yurong, Huang, Xudong, Wang, Jiexue, Zhang, Chenghua
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6601036/
https://www.ncbi.nlm.nih.gov/pubmed/31167344
http://dx.doi.org/10.3390/molecules24112107

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6601036/
https://www.ncbi.nlm.nih.gov/pubmed/31167344
http://dx.doi.org/10.3390/molecules24112107

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