. 2018 Mar 8;10:10. doi: 10.1186/s13321-018-0263-1
© The Author(s) 2018
Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.
Table 5.
Local comparison of OPERA logP and KOWWIN
| Model | R2 | RMSE |
|---|---|---|
| OPERA logP | 0.75 | 1.19 |
| KOWWIN | − 0.35 | 2.79 |