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. 2023 Aug 24;19(17):5988–5998. doi: 10.1021/acs.jctc.3c00691

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© 2023 The Authors. Published by American Chemical Society

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Comparison of the ASFEs for the 621 molecules investigated in this study compared to experimental values from the FreeSolv database.²³ Results obtained with CGenFF and transformato are marked as blue crosses; results by Mobley and Guthrie²³ using the GAFF force field are displayed as orange diamonds.