ChemSAR: an online pipelining platform for molecular SAR modeling

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 package for...

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Bibliografiske detaljer
Udgivet i:J Cheminform
Main Authors: Dong, Jie, Yao, Zhi-Jiang, Zhu, Min-Feng, Wang, Ning-Ning, Lu, Ben, Chen, Alex F., Lu, Ai-Ping, Miao, Hongyu, Zeng, Wen-Bin, Cao, Dong-Sheng
Format: Artigo
Sprog:Inglês
Udgivet: Springer International Publishing 2017
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Software
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5418185/
https://ncbi.nlm.nih.gov/pubmed/29086046
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0215-1
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