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Predicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanol

Crossref DOI link: https://doi.org/10.1007/s10822-021-00415-4

Published Online: 2021-09-08

Published Print: 2021-10

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Sabatino, Spencer J.

Paluch, Andrew S. https://orcid.org/0000-0002-2748-0783
License Information

Text and Data Mining valid from 2021-09-08

Version of Record valid from 2021-09-08
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Article History

Received: 4 May 2021

Accepted: 9 August 2021

First Online: 8 September 2021

Declarations

:

: The authors declare that they have no conflict of interest.

: This article does not contain any studies with human or animal subjects.

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