## 3 Results
In the same way, repellent #833 (dibenzyl ether), located in about the middle right-hand corner of Figure 2, is correctly allocated to class 1 as a training set member in 76.19% and 38.58% of cases by the MH and ML models, respectively. When it belongs to the test sets, it is well classified in 11.11% of cases by the MH models and 0% by the ML models (Table S2). It is noteworthy that the ML1 and MH1 models correctly predict chemical #833 as a training set member (Table S1). Lastly, its MlogP, MHlogP, and experimental log \(P\) values equal 3.39, 3.48 (Table S2), and 3.31, respectively. Chemical #520 (\(n\)-butyric acid, 1,2,3,4-tetrahydro-2-naphthyl ester), located to the left of chemical #833 in Figure 2, is a repellent predicted as such in 63.25% of cases by the MH models when it belongs to the training sets and in 32.20% by the ML models under the same conditions (Table S2). Also, as a training set member, its repellent activity is correctly predicted by the MH1 model but not by the ML1 model (Table S1). As a test set member, chemical #520 is never correctly predicted by both categories of models. In contrast, the non-repellents #1111 (2-ethylbutyric acid, 1,2,3,4-tetrahydro-2-naphthyl ester) and #2153 (_iso_-valeric acid, 1,2,3,4-tetrahydro-2-naphthyl ester) are very well predicted by the MH, ML, MH1, and ML1 models, whatever their belonging to the training and test sets (Tables S1 and S2). Repellent #2128 (undecalactone), located just below chemical #520 in Figure 2, has its activity correctly predicted in 66.67% of cases when it belongs to the training sets of the MH models and in only 28.04% of cases by the ML models under the same conditions (Figure 2, Table S2). As a test set member, its activity is never correctly predicted by the ML models and only in 39.39% of cases by the MH models (Table S2). It is therefore located near the abscissa of Figure 3. While the molecule is in the training set of the ML1 and MH1 models, only the latter correctly allocates it in class 1 (Table S1). No large difference is found between the MlogP and MHlogP values that are equal to 2.58 and 3.13, respectively (Table S2). In addition, the reliability of both calculated log \(P\) values was ranked as moderate. Figures 2 and 3 show that there are also molecules for which their repellent activity is better predicted by the ML models than the MH models. Thus, in the top left part of Figure 2, the non-repellent activity of molecule #1278 (alpha-hydroxy-_iso_-butyric acid, octyl ester) is correctly predicted by the ML models in 91.38% of cases when it belongs to the training sets. Under the same conditions, only 20% of the MH models correctly predict its activity (Table S2). It is in agreement with the ML1 and MH1 predictions (Table S1). As a test set member (Figure 3), the activity of compound #1278 is appropriately allocated to class 0 in only 52.63% and 20% of cases by the ML and MH models, respectively (Table S2, Figure 3). The MlogP value of chemical #1278 equals 3.33, broadly the same as its MHlogP value, which is 3.22 (Table S2). Inspection of Tables S1 and S2 shows that there are eight other alpha-hydroxy-_iso_-butyric acid esters (#1272 to #1277, #1279, #1280). Most of them have their repellency correctly predicted by both categories of models, whatever their class of activity. The unique exception is the non-repellent #1277, which is very poorly predicted as a training set member and never allocated to class 0 when it belongs to the test sets (Table S2). The repellent activity of the training set molecule #537 (capraldehyde glyceryl acetal), which is also located in the upper left part of Figure 2, is correctly allocated to class 0 in 72.55% of cases by the ML models and in only 9.09% of cases by the MH models (Table S2). The molecule also belongs to the training set of the ML1 and MH1 models, and its activity is only correctly predicted by the former model (Table S1). As a test set compound, its non-repellent activity is correctly predicted in 54.55% and 13.89% of cases by the ML and MH models, respectively (Table S2, Figure 3).