Machine Learning Models Based on Molecular Fingerprints and an Extreme Gradient Boosting Method Lead to the Discovery of JAK2 Inhibitors - researchr publication references

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Minjian Yang, Bingzhong Tao, Chengjuan Chen, Wenqiang Jia, Shaolei Sun, Tiantai Zhang, Xiaojian Wang. Machine Learning Models Based on Molecular Fingerprints and an Extreme Gradient Boosting Method Lead to the Discovery of JAK2 Inhibitors. Journal of Chemical Information and Computer Sciences, 59(12):5002-5012, 2019. [doi]

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