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"Prediction of pKa Using Machine Learning Methods with Rooted Topological ..."

Yipin Lu et al. (2019)

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DOI: 10.1021/ACS.JCIM.9B00498

access: closed

type: Journal Article

metadata version: 2021-06-01

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  - journals/jcisd/LuASGKSRNLJ19
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  - https://dblp.org/rec/journals/jcisd/LuASGKSRNLJ19
Yipin Lu, Shankara Anand, William A. Shirley, Peter Gedeck, Brian P. Kelley, Suzanne Skolnik, Stephane Rodde, Mai Nguyen, Mika K. Lindvall, Weiping Jia:
Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines. J. Chem. Inf. Model. 59(11): 4706-4719 (2019)

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