Description:
Regression ensemble of sensillum SBT-I-B with 5 individual models (I1, I10, I15, I16, and I19) 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 Linear Regression algorithm as default in Weka 3.9.4 with a 10-fold cross-validation. Models I1, I10, I15, I16, and I19 were developed by using 6, 9, 9, 7, and 7 QuBiLS-MIDAS
descriptors, respectively, namely:
K_B_AB_nCi_2_M11_SS7_o_T_LGL[1-2]_a-p_MID
S_F_AB_nCi_2_M14_NS2_n_T_LGL[2-3]_c_MID
MX_Q_AB_nCi_2_M8_SS3_T_LGP[2]_v_MID
ES_RA_F_AB_nCi_2_M16_MP2_T_LGL[5-6]_s_MID
AC[1]_S_B_AB_nCi_2_M5_NS6_T_LGP[2]_e-p_MID
HM_Q_AB_nCi_2_M12_SS4_T_LGP[5]_p_MID
AC[2]_S_Q_AB_nCi_2_M1_SS0_o_T_LGL[1-2]_s_MID
GV[5]_AM_TrQB_AB_nCi_3_M20(M16)_SS3_T_LG3L[1-2]_LGL[1-2]_p-h_MID
AC[2]_K_B_AB_nCi_2_M8_SS2_n_T_LGP[2]_e-p_MID
GV[3]_K_TrB_AB_nCi_3_M22(M1)_SS7_T_KA_p-s_MID
AC[5]_S_Q_AB_nCi_2_M10_MP4_T_LGL[2-3]_c_MID
AC[1]_S_B_AB_nCi_2_M8_SS3_n_T_LGP[2]_e-p_MID
GV[4]_N2_TrC_AB_nCi_3_M20(M10)_SS3_T_LG3P[3]_LGP[3]_v_MID
AC[4]_K_TrC_AB_nCi_3_M21(M15)_SS4_C_LGTP[12-13]_m_MID
TS[3]_K_TrC_AB_nCi_3_M27_SS1_T_KA_v_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 = 0.9889, MAE = 1.8062, RMSE = 3.8634, RAE = 11.617 %, and RRSE = 14.5348 %.
Classification Breakpoint:
The breakpoint for sensillum SBT-I-B is 16.3 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