Description:
Regression ensemble of sensillum SST-C with 8 individual models (I2, I3, I14, I15, I16, I17, I23, and I25) 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 Linear Regression algorithm as default in Weka 3.9.4 with a 10-fold cross-validation. Models I2, I3, I14, I15, I16, I17, I23, and I25 were developed by using 7, 6, 3, 10, 10, 10, 7, and 10 QuBiLS-MIDAS descriptors, respectively, namely:

AC[1]_S_F_AB_nCi_2_M8_SS7_o_T_LGL[5-6]_c_MID
AC[4]_K_F_AB_nCi_2_M14_MP1_T_LGP[1]_r_MID
ES_K_B_AB_nCi_2_M8_NS1_T_LGL[1-2]_h-s_MID
GOWAWA[0.5;1;S-OWA;0.8;0.2;1;ES2-OWA;0.9]_Q_AB_nCi_2_M2_MP2_A_LGP[1;2;5;9]_hx_MID
GV[1]_S_F_AB_nCi_2_M14_NS1_n_T_LGL[1-2]_est_MID
ES_RA_F_AB_nCi_2_M16_MP2_T_LGL[5-6]_s_MID
Q2_B_AB_nCi_2_M14_MP2_T_LGL[5-6]_v-p_MID
S_B_AB_nCi_2_M10_SS7_T_LGL[5-6]_c-h_MID
AC[2]_S_F_AB_nCi_2_M16_MP1_T_LGP[1]_c_MID
TS[4]_I50_F_AB_nCi_2_M5_SS1_o_T_KA_a_MID
K_TrQB_AB_nCi_3_M19(M1)_NS4_T_KA_m-p_MID
AC[5]_I50_Tr_AB_nCi_3_M19(M16)_SS3_T_LG3P[2]_LGP[2]_e-v-p_MID
N1_TrF_AB_nCi_3_M20(M16)_MP1_T_LGBA[1.570-1.884]_h_MID
TS[3]_K_TrC_AB_nCi_3_M27_SS1_T_KA_p_MID
SD_Tr_AB_nCi_3_M26(M15)_SS3_T_KA_a-e-v_MID
GV[5]_K_TrB_AB_nCi_3_M25(M8)_NS7_T_LG3L[2-3]_LGL[2-3]_r-s_MID
S_Tr_AB_nCi_3_M25(M16)_NS2_T_LGA[1.0-2.0]_a-e-v_MID
IB_S_Q_AB_nCi_2_M10_SS6_T_LGL[2-3]_h_MID
RA_TrB_AB_nCi_3_M22(M5)_SS7_T_LG3L[2-3]_LGL[2-3]_r-p_MID
AC[2]_S_F_AB_nCi_2_M12_MP1_T_LGP[1]_r_MID
VC_TrF_AB_nCi_3_M21(M1)_SS1_T_LG3L[2-3]_LGL[2-3]_p_MID
MX_Q_AB_nCi_2_M11_MP7_T_LGL[1-2]_v_MID
S_B_AB_nCi_2_M13_NS4_T_LGL[5-6]_a-s_MID
I50_B_AB_nCi_2_M14_NS0_T_LGP[2]_p-h_MID
AC[5]_S_F_AB_nCi_2_M8_SS3_T_LGP[1]_v_MID
K_TrB_AB_nCi_3_M26(M3)_NS3_T_KA_m-p_MID
ES_SD_F_AB_nCi_2_M1_SS1_T_LGP[5]_a_MID
GV[2]_K_Tr_AB_nCi_3_M22(M8)_SS1_T_KA_m-psa-a_MID
AC[5]_S_B_AB_nCi_2_M3_NS6_o_T_LGP[2]_h-s_MID
CHOQUET[D;0.5;AO2;0.6]_Q_AB_nCi_2_M14_SS4_T_LGL[2-5]_e_MID
AC[4]_S_Q_AB_nCi_2_M1_SS7_o_T_LGL[1-2]_a_MID
AC[5]_S_Q_AB_nCi_2_M12_MP0_T_LGL[1-2]_a_MID
AC[6]_RA_B_AB_nCi_2_M8_MP5_T_KA_a-r_MID
ES_SD_B_AB_nCi_2_M12_MP2_C_LGL[5-6]_e-p_MID
VC_TrC_AB_nCi_3_M22(M3)_SS2_T_LG3L[2-3]_LGL[2-3]_h_MID
VC_TrF_AB_nCi_3_M25(M10)_NS2_T_LGBA[0.0-0.314]_p_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 = 0.9953, MAE = 0.734, RMSE = 1.6815, RAE = 5.2726 %, and RRSE = 9.547 %.

Classification Breakpoint:
The breakpoint for sensillum SST-C is 13.5 spikes/s. Values greater than or equal to the breakpoint will elicit a response in this specific sensillum. Lower values represent certain actions occurring, however, they 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