Table 1: Summary of hypothesis.

HypoFeatureRankDirect hit maskPartial hit mask

1RAAA36.680111110000
2RAAA36.430111110000
3RAAA36.290111110000
4AAAA36.041110100010
5AAAA35.821110100010
6RAAA35.671111110000
7AAAA35.191110100010
8HAAA34.100111110000
9HAAA33.700111110000
10HAAA33.520111110000

In direct hit mask, (1) indicates every feature of training set molecule is mapped, (0) indicates 1 or more features were not mapped.
In partial hit mask, (0) indicates every feature of training set molecule is mapped; (1) indicates 1 or more features were not mapped.
R: ring aromatic (RA), A: hydrogen bond acceptor (HBA), H: hydrophobic (H).