Results in Figures 4 and 5 demonstrate the impact of geometry descriptors related to aperture and array distance from focal points, which are largely consistent with the expectations.
The enhanced localization speed and impact of feature descriptors will be further discussed in Section 'Results and discussion', while 3D annotation functionality will be examined in Section 'High-precision augmentation with HD4AR'.
The analysis of the impact of local descriptors on the activity for different supergraph positions is highly helpful in search for new promising structures as well as in understanding their action.
To further investigate the significance of the proposed geometry descriptors' impact on performance, Analysis of Variance (ANOVA) is applied, which is useful for investigating the effect of independent factors on observations [20].
These variations could be due to the general population's perception of disease severity and impact [ 29]; descriptors within the HS may have resonated more with the general population in Japan.
The impact of these descriptors makes intuitive sense as active compounds such as benzoxazepines and benzamides that are well represented in the training data set contain extended π conjugated systems as well as hetero atoms with lone pair electrons.
The decision function is analysed to determine the impact of each descriptor to the local neighbourhood and the descriptor with the largest gradient (impact) is identified.
The capability of the MLR model to reveal the impact of each descriptor on bitter activity was its main advantage, where more accurate predictions by SVM and ANN made them suitable models for precise predictions.
