Investigation of Antileishmanial Activities of Acridines Derivatives against Promastigotes and Amastigotes Form of Parasites Using Quantitative Structure Activity Relationship Analysis

Table 7

The coefficient of determination, the coe1fficient of correlation, and the MSE obtained by the model established by the ANN for the three phases: Training, validation, and test.

pIC50 PRO
Model	= 51; MSE = 0.079; = 0.870; = 0.933
Training set	1; 3; 4; 5; 6; 7; 11; 12; 13; 14; 16; 19; 21; 25; 26; 27; 28; 30; 32; 34; 35; 36; 37; 38; 39; 40; 41; 43; 44; 46; 47; 48; 49; 50; 51	MSE = 0.044; = 0.914; = 0.956
Validation set	8; 17; 18; 22; 23; 24; 29; 31	MSE = 0.125; = 0.922; = 0.960
Test set	2; 9; 10; 15; 20; 33; 42; 45	MSE = 0.186; = 0.725; = 0.851
pIC50 AMA
Model	= 48; MSE = 0.104; = 0.918; = 0.843
Training set	2; 3; 4; 5; 6; 7; 10; 11; 13; 16; 18; 19; 20; 21; 23; 27; 28; 29; 30; 31; 32; 33; 34; 35; 36; 37; 38; 39; 41; 43; 44; 45; 46; 47	MSE = 0.060; = 0.897; = 0.947
Validation set	1; 8; 14; 15; 17; 24; 25	MSE = 0.198; = 0.710; = 0.843
Test set	9; 12; 22; 26; 40; 42; 48	MSE = 0.228; = 0.791; = 0.890