Description:
Classification model developed to predict the spike amplitude of the extracellularly record of ORN response potentials of the antennal trichoid sensilla to Cx. quinquefasciatus in two classes: POSITIVE or NEGATIVE. The breakpoint for sensillum SBT-II-A is 20.4 spikes/s. Values greater than or equal to the breakpoint will elicit a response in this specific sensillum and are represented as POSITIVE. Lower values represent certain actions occurring, however, these are not enough to activate the sensillum response, these are classified as NEGATIVE.

The training was performed with Vote algorithm as default in Weka 3.9.4 with a 10-fold cross-validation using a combination of the average (agglomeration rule) of Quadratic Discriminant Analysis (QDA), Naïve Bayes, Logistic function, and also implements John Platt's sequential minimal optimization algorithm for training a support vector classifier (SMO – with Pearson Universal Kernel (PUK)). A number of 6 QuBiLS-MIDAS descriptors are in the classification model, namely:

AC[5]_I50_F_AB_nCi_2_M1_SS0_T_LGL[2-3]_v_MID
Q2_B_AB_nCi_2_M3_NS3_T_LGL[1-2]_r-h_MID
AC[1]_S_F_AB_nCi_2_M1_SS7_o_T_LGL[5-6]_c_MID
AC[4]_K_F_AB_nCi_2_M14_MP1_n_T_LGP[5]_h_MID
AC[4]_S_F_AB_nCi_2_M12_MP7_n_T_LGP[5]_c_MID
MN_Q_AB_nCi_2_M14_NS1_T_LGL[1-2]_h_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 MCC = 0.645, ROC Area = 0.894, PRC Area = 0.904, TP Rate = 0.82, FP Rate = 0.198, Q (%) = 82, and Precision = 0.831.

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