Description:
Regression ensemble of sensillum SBT-I-A with 4 individual models (I3, I16, I17, and I18) used for prediction of spike amplitude of the extracellularly record of ORN response potentials of the antennal trichoid sensilla to Cx. quinquefasciatus repellents.

The training was performed with the Bagging algorithm and Linear Regression as classifier, as default in Weka 3.9.4 with a 10-fold cross-validation. Models I3, I16, I17, and I18 were developed by using 4, 9, 5, and 10 QuBiLS-MIDAS descriptors, respectively, namely:

K_TrF_AB_nCi_3_M26(M3)_NS1_T_KA_p_MID
I50_TrB_AB_nCi_3_M22(M16)_MP1_T_KA_r-p_MID
N2_Tr_AB_nCi_3_M22(M11)_MP6_T_KA_a-e-v_MID
MX_TrC_AB_nCi_3_M26(M11)_SS5_T_LGBA[0.314-0.628]_h_MID
I50_B_AB_nCi_2_M14_SS1_n_T_LGP[1]_a-p_MID
I50_B_AB_nCi_2_M15_SS6_n_T_LGP[1]_h-s_MID
S_Tr_AB_nCi_3_M22(M15)_NS2_T_KA_a-e-v_MID
AC[1]_S_F_AB_nCi_2_M15_MP2_T_LGP[2]_c_MID
ES_S_B_AB_nCi_2_M3_SS2_T_LGL[1-2]_v-s_MID
K_Tr_AB_nCi_3_M22(M1)_SS5_T_LG3P[1]_LGP[1]_a-e-v_MID
S_B_AB_nCi_2_M13_NS4_T_LGL[5-6]_a-s_MID
AC[3]_S_Q_AB_nCi_2_M1_SS0_o_T_LGL[1-2]_r_MID
RA_TrF_AB_nCi_3_M28_MP1_T_LGBA[1.570-1.884]_p_MID
AC[3]_S_B_AB_nCi_2_M8_SS1_o_T_LGP[2]_v-s_MID
RA_B_AB_nCi_2_M8_MP7_T_LGP[1]_a-p_MID
S_F_AB_nCi_2_M1_NS2_T_LGP[1]_h_MID
N1_B_AB_nCi_2_M16_SS1_T_LGP[2]_c-p_MID
N3_F_AB_nCi_2_M10_NS1_X_LGP[1]_a_MID

Training set:
50 compounds extracted from the Liu, et al., 2013 original experimental research constitute the training set 10.1016/j.jinsphys.2013.08.016

Performance:
For a 10-fold cross-validation, the statistical parameters (performance without applicability domain) are R = 0.8925, MAE = 3.542, RMSE = 6.8375, RAE = 26.8873 %, and RRSE = 44.2183 %.

Classification Breakpoint:
The breakpoint for sensillum SBT-I-A is 13.2 spikes/s. Values greater than or equal to the breakpoint will elicit a response in this specific sensillum, while lower values represent certain actions occurring, however, these are not enough to activate the sensillum response.

Reference:
Liu et al. Olfactory responses of the antennal trichoid sensilla to chemical repellents in the mosquito, Culex quinquefasciatus. 2013, 59(11), 1169-1177. DOI: 10.1016/j.jinsphys.2013.08.016