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Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields

Published Online: 2020-01-20

Published Print: 2020-04

Authors

Ding, Ye

Xu, You

Qian, Cheng

Chen, Jinfeng

Zhu, Jian

Huang, Houhou

Shi, Yi

Huang, Jing http://orcid.org/0000-0001-9639-2907
Funding

Funding for this research was provided by:

National Natural Science Foundation of China (21803057)

Natural Science Foundation of Zhejiang Province (LR19B030001)
License Information

Text and Data Mining valid from 2020-01-20

Version of Record valid from 2020-01-20
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Article History

Received: 12 October 2019

Accepted: 8 January 2020

First Online: 20 January 2020

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