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. Author manuscript; available in PMC: 2021 May 1.
Published in final edited form as: J Comput Aided Mol Des. 2020 Jan 20;34(5):543–560. doi: 10.1007/s10822-019-00267-z

Fig. 8:

Fig. 8:

Correlation between experimental and computed octanol-water coefficients log Pow for simulations performed with dry or wet octanol with CGenFF parameters.