Table 2.

Overview of the Results Submitted to the SAMPL5 Challenge.

SAMPL5 ID	LogDExp.	LogPCalc.
002	1.4 ± 0.3	−1.0
003	1.9 ± 0.1	2.6
004	2.2 ± 0.3	4.1
005	−0.9 ± 0.1	1.1
006	−1.0 ± 0.1	−0.9
007	1.4 ± 0.3	3.5
010	−1.7 ± 0.4	−2.4
011	−3.0 ± 0.1	3.2
013	−1.5 ± 0.4	3.1
015	−2.2 ± 0.3	−3.7
017	2.5 ± 0.3	0.9
019	1.2 ± 0.4	5.9
020	1.6 ± 0.3	0.1
021	1.2 ± 0.3	0.7
024	1.0 ± 0.4	1.9
026	−2.6 ± 0.1	−2.8
027	−1.9 ± 0.1	2.7
033	1.8 ± 0.2	3.4
037	−1.5 ± 0.1	−4.3
042	−1.1 ± 0.3	0.7
044	1.0 ± 0.4	0.9
045	−2.1 ± 0.2	−1.7
046	0.2 ± 0.3	−1.0
047	−0.4 ± 0.3	0.2
048	0.9 ± 0.4	0.8
049	1.3 ± 0.1	1.9
050	−3.2 ± 0.6	−5.4
055	−1.5 ± 0.1	−3.2
056	−2.5 ± 0.1	−1.6
058	0.8 ± 0.1	2.2
059	−1.3 ± 0.3	−0.6
060	−3.9 ± 0.2	−1.7
061	−1.5 ± 0.1	−1.4
063	−3.0 ± 0.4	−6.0
065	0.7 ± 0.2	−1.4
067	−1.3 ± 0.3	0.4
068	1.4 ± 0.3	0.7
069	−1.3 ± 0.3	−0.1
070	1.6 ± 0.3	4.9
071	−0.1 ± 0.5	−0.9
072	0.6 ± 0.3	3.3
074	−1.9 ± 0.3	−6.3
075	−2.8 ± 0.3	−1.4
080	−2.2 ± 0.2	0.4
081	−2.2 ± 0.3	−5.3
082	2.5 ± 0.4	6.4
083	−1.9 ± 0.4	−10.9
084	0.0 ± 0.2	2.6
085	−2.2 ± 0.4	0.7
086	0.7 ± 0.2	1.1
088	−1.9 ± 0.3	−1.0
090	0.8 ± 0.2	1.0
092	−0.4 ± 0.3	−1.1
	MSDa	0.5
	MADb	1.9

^aThe mean signed deviation of the predicted logP from the experimental logD.

^bThe mean absolute deviation of the predicted logP from the experimental logD.