TABLE 3.

Toxicity screening of analogues.

Entry no.	H-HT	DILI	Ames	ROA	Carc.	NR-AR	NR-AR-LBD
APL1	0.984	0.996	0.02	0.939	0.877	0.375	0.243
APL2	0.969	0.988	0.042	0.893	0.862	0.319	0.13
APL3	0.969	0.988	0.042	0.893	0.862	0.319	0.13
APL4	0.985	0.99	0.026	0.911	0.597	0.015	0.369
APL5	0.987	0.994	0.022	0.739	0.906	0.047	0.217
APL6	0.984	0.983	0.02	0.947	0.712	0.056	0.062
APL7	0.979	0.995	0.042	0.938	0.875	0.472	0.114
APL8	0.984	0.989	0.045	0.911	0.898	0.09	0.527
APL9	0.981	0.984	0.043	0.634	0.893	0.012	0.007
APL10	0.982	0.993	0.055	0.605	0.892	0.034	0.04
APL11	0.964	0.997	0.061	0.644	0.754	0.015	0.004
APL12	0.966	0.994	0.083	0.766	0.605	0.01	0.181
APL13	0.971	0.989	0.087	0.633	0.878	0.026	0.048
APL14	0.975	0.994	0.043	0.238	0.842	0.011	0.022
APL15	0.99	0.986	0.358	0.943	0.983	0.329	0.014
APL16	0.989	0.98	0.25	0.73	0.95	0.004	0.004
APL17	0.936	0.978	0.029	0.607	0.931	0.017	0.013
APL18	0.933	0.98	0.027	0.645	0.934	0.011	0.012
APL19	0.939	0.981	0.034	0.609	0.936	0.009	0.015
APL20	0.963	0.986	0.372	0.925	0.972	0.009	0.078
APL21	0.986	0.982	0.247	0.836	0.969	0.206	0.02
APL22	0.982	0.984	0.046	0.944	0.945	0.27	0.01
APL23	0.985	0.978	0.052	0.864	0.896	0.008	0.005
APL24	0.982	0.984	0.298	0.844	0.9	0.002	0.008
APL25	0.973	0.981	0.202	0.817	0.877	0.005	0.005
APL26	0.958	0.987	0.07	0.583	0.838	0.032	0.27
APL27	0.97	0.99	0.026	0.754	0.852	0.027	0.087
APL28	0.975	0.991	0.039	0.843	0.841	0.037	0.285
APL29	0.973	0.99	0.038	0.838	0.84	0.036	0.262
APL30	0.976	0.992	0.046	0.828	0.851	0.039	0.406
APL31	0.976	0.989	0.03	0.778	0.786	0.036	0.05
APL32	0.9	0.48	0.397	0.649	0.214	0.262	0.603
APL33	0.964	0.774	0.52	0.31	0.069	0.137	0.425
APL34	0.968	0.935	0.021	0.118	0.107	0.001	0.002
APL35	0.931	0.485	0.604	0.787	0.431	0.121	0.661
APL36	0.931	0.485	0.604	0.787	0.431	0.121	0.661
APL37	0.978	0.982	0.718	0.288	0.609	0.072	0.587
APL38	0.967	0.334	0.463	0.857	0.517	0.139	0.417
APL39	0.969	0.986	0.245	0.677	0.875	0.013	0.027
APL40	0.969	0.989	0.056	0.869	0.173	0.409	0.041
APL41	0.977	0.957	0.423	0.583	0.168	0.112	0.476
APL42	0.97	0.989	0.061	0.87	0.17	0.409	0.043
APL43	0.978	0.251	0.088	0.758	0.175	0.017	0.565
APL44	0.982	0.977	0.658	0.419	0.124	0.086	0.187
APL45	0.976	0.99	0.228	0.194	0.932	0.034	0.009
APL46	0.98	0.995	0.671	0.517	0.924	0.008	0.003
APL47	0.987	0.99	0.149	0.318	0.963	0.009	0.009
APL48	0.95	0.986	0.068	0.673	0.9	0.097	0.063
APL49	0.979	0.99	0.491	0.975	0.861	0.021	0.318
APL50	0.973	0.985	0.028	0.972	0.439	0.027	0.008
APL51	0.971	0.991	0.044	0.993	0.438	0.035	0.011
APL52	0.887	0.982	0.031	0.839	0.681	0.023	0.005
APL53	0.903	0.986	0.081	0.82	0.524	0.034	0.005
APL54	0.926	0.99	0.03	0.892	0.692	0.037	0.008
APL55	0.911	0.992	0.037	0.849	0.518	0.024	0.006
APL56	0.916	0.991	0.034	0.867	0.615	0.025	0.005
APL57	0.939	0.986	0.032	0.637	0.881	0.116	0.011
APL58	0.915	0.992	0.046	0.547	0.721	0.037	0.035
APL59	0.979	0.985	0.046	0.878	0.884	0.068	0.038
APL60	0.952	0.993	0.038	0.596	0.744	0.029	0.007
APL61	0.951	0.989	0.433	0.964	0.772	0.018	0.008
APL62	0.968	0.994	0.049	0.68	0.742	0.035	0.013
APL63	0.951	0.993	0.039	0.804	0.803	0.046	0.064
APL64	0.939	0.99	0.041	0.677	0.785	0.042	0.021
APL65	0.965	0.987	0.02	0.963	0.326	0.021	0.005
APL66	0.907	0.987	0.024	0.784	0.854	0.121	0.019
APL67	0.925	0.986	0.033	0.866	0.881	0.028	0.032
APL68	0.951	0.993	0.039	0.804	0.803	0.046	0.064
APL69	0.929	0.99	0.025	0.81	0.859	0.049	0.017
APL70	0.945	0.996	0.028	0.765	0.794	0.015	0.017
APL71	0.938	0.989	0.119	0.699	0.912	0.3	0.09
APL72	0.984	0.992	0.024	0.95	0.809	0.018	0.065
APL73	0.949	0.989	0.023	0.864	0.782	0.155	0.019
APL74	0.956	0.993	0.108	0.795	0.885	0.022	0.037
APL75	0.989	0.989	0.069	0.9	0.956	0.017	0.063
APL76	0.978	0.991	0.024	0.383	0.755	0.007	0.023
APL77	0.95	0.987	0.207	0.811	0.863	0.156	0.12
APL78	0.939	0.984	0.045	0.832	0.916	0.085	0.043
APL79	0.951	0.988	0.057	0.343	0.86	0.019	0.725
APL80	0.972	0.992	0.317	0.981	0.863	0.005	0.176
APL	0.975	0.991	0.039	0.843	0.841	0.037	0.285

H-HT, the human hepatotoxicity; DILI, drug-induced liver injury; Ames, Test for mutagenicity; ROA, rat oral acute toxicity; NR-AR, androgen receptor - a nuclear hormone receptor; NR-AR-LBD, molecule bind with LBD, of androgen receptor; Carc., carcinogenicity.