Skip to main content
. Author manuscript; available in PMC: 2020 Apr 1.
Published in final edited form as: Chemosphere. 2018 Dec 19;220:204–215. doi: 10.1016/j.chemosphere.2018.12.131

Table 5:

Consensus I model misclassified six chemicals in the external set as false positive. These chemicals were experimentally negative but were predicted as positive by all the in silico models.

CAS Name Structure
57-88-5 Cholesterol graphic file with name nihms-1539792-t0011.jpg
52-39-1 Aldosterone graphic file with name nihms-1539792-t0012.jpg
83-46-5 beta-Sitosterol graphic file with name nihms-1539792-t0013.jpg
145-13-1 Pregnenolone graphic file with name nihms-1539792-t0014.jpg
50-24-8 Prednisolone graphic file with name nihms-1539792-t0015.jpg
98007-99-9 ICI 164384 graphic file with name nihms-1539792-t0016.jpg