ChemSAR: an online pipelining platform for molecular SAR modeling

ChemSAR: an online pipelining platform for molecular SAR modeling

Abstract Background In recent years, predictive models based on machine learning techniques have proven to be feasible and effective in drug discovery. However, to develop such a model, researchers usually have to combine multiple tools and undergo several different steps (e.g., RDKit or ChemoPy pac...

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Bibliographic Details
Main Authors: Jie Dong, Zhi-Jiang Yao, Min-Feng Zhu, Ning-Ning Wang, Ben Lu, Alex F. Chen, Ai-Ping Lu, Hongyu Miao, Wen-Bin Zeng, Dong-Sheng Cao
Format: Article
Language:English
Published: BMC 2017-05-01
Series:Journal of Cheminformatics
Subjects:
Online modeling
Molecular descriptors
Machine learning
QSAR/SAR
Cheminformatics
Online Access:http://link.springer.com/article/10.1186/s13321-017-0215-1

Internet

http://link.springer.com/article/10.1186/s13321-017-0215-1

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