Development of Quantitative Structure-Property Relationship Models for Self-Emulsifying Drug Delivery System of 2-Aryl Propionic Acid NSAIDs

Table 7

Experimental and predicted values of predicting set.

(a)

NO.	SKetoExp.	MLR	ANN	SIbuExp.	MLR	ANN	SFluExp.	MLR	ANN
1^a	1.464	1.649	1.376	2.552	2.457	2.488	1.199	1.195	1.241
2^a	1.674	2.090	2.104	3.221	3.299	3.285	1.564	1.572	1.518
3^a	2.155	2.230	2.378	2.762	2.973	2.663	1.541	1.608	1.615
4^a	1.057	1.026	1.169	2.074	1.983	2.233	1.045	1.209	1.233
5^a	1.600	1.756	1.631	3.418	3.487	3.420	1.830	1.801	1.885
6^a	1.018	0.901	0.841	2.356	2.099	2.014	1.015	0.964	0.871
7^a	1.330	1.363	1.106	2.918	2.970	2.973	1.300	1.395	1.191
8^a	1.631	1.693	1.422	3.352	3.407	3.655	1.670	1.699	1.615
9^a	0.944	0.913	0.461	1.545	1.663	2.033	0.794	0.645	0.967
10^a	1.671	1.644	1.504	2.230	2.631	2.274	1.071	1.189	1.046
11^a	1.962	1.832	1.767	2.483	2.881	2.543	1.095	1.328	1.090
12^a	2.124	2.011	2.093	3.380	3.373	3.396	1.385	1.501	1.425
13^a	0.854	0.794	1.050	2.017	1.909	1.828	0.980	1.049	0.958
14^a	1.610	1.519	1.542	2.853	2.880	2.794	1.678	1.640	1.593
15^a	1.791	1.773	1.775	3.617	3.476	3.584	1.841	1.881	1.971
16^a	0.906	0.994	1.183	2.163	2.075	1.830	0.951	1.084	1.043
17^a	1.711	1.718	1.775	2.686	3.044	2.975	1.559	1.646	1.624
18^a	1.768	1.827	1.788	2.710	2.934	2.976	1.647	1.694	1.691
19^b	1.452	1.047	1.223	1.801	1.978	1.947	1.065	1.173	1.062
20^b	1.657	1.132	1.443	2.314	2.346	2.265	1.217	1.273	1.193
21^b	1.614	1.241	1.476	2.261	2.748	2.749	1.369	1.386	1.315
22^b	1.778	1.402	1.530	2.255	2.447	2.732	1.322	1.444	1.375
23^b	1.901	1.486	1.708	2.516	2.816	2.842	1.645	1.544	1.345
24^b	2.000	1.571	1.837	2.757	3.185	3.413	1.630	1.644	1.552
25^b	1.887	1.591	1.680	2.304	2.699	2.751	1.342	1.587	1.596
26^b	2.009	1.675	1.911	2.938	3.068	3.152	1.765	1.687	1.490
27^b	2.165	1.735	1.988	3.140	3.404	3.810	1.786	1.773	1.625
28^b	2.056	1.710	1.774	2.377	2.856	2.754	1.477	1.675	1.661
29^b	2.062	1.770	1.991	2.944	3.192	3.273	1.687	1.761	1.582
30^b	2.206	1.830	2.071	3.603	3.528	3.916	1.632	1.848	1.654
31^b	1.534	1.092	1.080	1.933	2.053	2.149	1.171	1.162	1.062
32^b	1.653	1.177	1.144	2.142	2.422	2.205	1.339	1.262	1.194
33^b	1.622	1.286	1.068	2.195	2.824	2.822	1.435	1.376	1.233
34^b	1.812	1.457	1.344	2.327	2.542	2.753	1.574	1.464	1.381
35^b	1.802	1.541	1.521	2.347	2.911	3.096	1.770	1.564	1.415
36^b	1.721	1.626	1.471	2.833	3.280	3.551	1.787	1.664	1.483
37^b	1.852	1.651	1.494	2.247	2.803	3.085	1.685	1.621	1.657
38^b	1.796	1.736	1.698	2.165	3.172	3.504	1.690	1.721	1.586
39^b	1.820	1.796	1.733	2.865	3.508	3.771	1.877	1.808	1.662
40^b	1.916	1.773	1.604	2.129	2.967	3.157	1.767	1.718	1.796
41^b	2.133	1.833	1.779	2.529	3.303	3.627	1.855	1.805	1.691
42^b	1.884	1.893	1.885	3.116	3.639	3.948	1.884	1.891	1.778

(b)

NO.	SNapExp.	MLR	ANN	SLoxoExp.	MLR	ANN	SCarExp	MLR	ANN
1^a	0.426	0.438	0.441	2.144	2.104	2.175	1.146	1.227	1.193
2^a	0.552	0.534	0.531	2.457	2.465	2.462	1.689	1.641	1.680
3^a	0.596	0.612	0.606	2.355	2.549	2.201	1.842	1.913	1.698
4^a	0.450	0.505	0.479	1.904	1.728	1.884	1.475	1.357	1.378
5^a	0.696	0.651	0.672	2.229	2.347	2.260	2.009	2.132	2.082
6^a	0.437	0.435	0.403	1.653	1.742	1.505	1.405	1.449	1.505
7^a	0.497	0.553	0.518	2.100	2.112	2.127	1.939	1.939	1.884
8^a	0.624	0.661	0.631	2.339	2.360	2.300	2.366	2.359	2.326
9^a	0.342	0.312	0.315	1.585	1.520	1.620	0.818	0.769	1.006
10^a	0.444	0.473	0.491	2.081	2.100	2.099	1.553	1.495	1.606
11^a	0.455	0.514	0.485	2.133	2.250	2.313	1.725	1.681	1.808
12^a	0.503	0.536	0.488	2.419	2.404	2.455	1.892	1.805	1.879
13^a	0.440	0.456	0.435	1.649	1.666	1.574	1.208	1.175	1.346
14^a	0.678	0.650	0.661	2.286	2.233	2.339	2.010	2.065	2.313
15^a	0.694	0.697	0.708	2.435	2.445	2.379	2.300	2.305	2.361
16^a	0.371	0.402	0.389	1.665	1.706	1.514	1.320	1.501	1.505
17^a	0.631	0.618	0.621	2.069	2.279	2.258	2.258	2.338	2.381
18^a	0.668	0.673	0.651	2.295	2.352	2.336	2.500	2.529	2.624
19^b	0.403	0.536	0.528	1.774	1.858	1.825	1.318	1.362	1.239
20^b	0.480	0.537	0.528	1.660	1.938	1.904	1.409	1.390	1.489
21^b	0.501	0.543	0.512	1.601	2.039	2.220	1.358	1.440	1.709
22^b	0.544	0.628	0.650	2.054	2.138	2.046	1.632	1.730	1.677
23^b	0.514	0.629	0.633	2.333	2.218	2.346	1.776	1.759	1.957
24^b	0.537	0.631	0.611	2.223	2.298	2.463	1.753	1.787	2.133
25^b	0.593	0.677	0.692	2.250	2.288	2.163	1.788	1.925	1.804
26^b	0.734	0.678	0.673	2.405	2.368	2.516	2.008	1.954	2.063
27^b	0.602	0.674	0.659	2.309	2.428	2.544	2.050	1.961	2.160
28^b	0.630	0.707	0.716	2.418	2.382	2.242	2.060	2.046	1.890
29^b	0.724	0.703	0.693	2.493	2.442	2.585	2.163	2.054	2.116
30^b	0.682	0.700	0.686	2.417	2.501	2.588	2.230	2.061	2.167
31^b	0.686	0.499	0.546	1.944	1.846	1.681	1.627	1.478	1.430
32^b	0.852	0.500	0.525	1.933	1.926	1.862	1.731	1.507	1.544
33^b	0.742	0.506	0.482	2.037	2.027	2.195	1.725	1.556	1.746
34^b	0.489	0.599	0.675	2.274	2.131	2.076	1.966	1.940	1.945
35^b	0.529	0.600	0.641	2.313	2.211	2.357	2.077	1.969	2.028
36^b	0.499	0.601	0.619	2.363	2.291	2.426	2.012	1.998	2.097
37^b	0.595	0.651	0.729	2.449	2.283	2.263	2.271	2.182	2.172
38^b	0.586	0.652	0.705	2.493	2.363	2.490	2.003	2.211	2.219
39^b	0.579	0.648	0.689	2.437	2.423	2.527	2.268	2.218	2.244
40^b	0.761	0.683	0.778	2.265	2.379	2.363	2.474	2.331	2.325
41^b	0.732	0.680	0.751	2.446	2.438	2.539	2.356	2.339	2.375
42^b	0.791	0.676	0.732	2.500	2.498	2.603	2.544	2.347	2.383

^aInternal validation set.
^bExternal prediction set.