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 SST-C is 13.5 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 minimum probability (agglomeration rule) of the following classifiers: Stochastic Gradient Descent (SGD), Linear Discriminant Analysis (LDA), IBk (with K-nearest neighbor (KNN) = 10 and True cross-validation), John Platt's sequential minimal optimization algorithm for training a support vector classifier (SMO - with Pearson Universal Kernel (PUK)), and Logistic function algorithm. A number of 7 QuBiLS-MIDAS descriptors are in the classification model, namely:

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
AC[2]_S_F_AB_nCi_2_M16_MP1_T_LGP[1]_c_MID
ES_SD_B_AB_nCi_2_M12_MP2_C_LGL[5-6]_e-p_MID
S_B_AB_nCi_2_M10_SS7_T_LGL[5-6]_c-h_MID
AC[5]_S_Q_AB_nCi_2_M12_MP0_T_LGL[1-2]_a_MID
AC[5]_S_F_AB_nCi_2_M8_SS3_T_LGP[1]_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 MCC = 0.843, ROC Area = 0.878, PRC Area = 0.862, TP Rate = 0.933, FP Rate = 0.108, Q (%) = 84, and Precision = 0.933.

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