Ashli-Ann Douglas, Camille Msall, Bethany Rittle-Johnson
Developing and validating a measure of parental knowledge about early math development
Frontiers in psychology
order predict antitrypanosome effect carbazolederived compounds quantitative structureactivity relationship five models established linear method random forest radial basis kernel function support vector machine linear combination mixkernel function support vector machine nonlinear combination mixkernel function support vector machine nlmixsvm heuristic method optimized catboost used select two different key descriptor sets building linear nonlinear models respectively hyperparameters nonlinear models optimized comprehensive learning particle swarm optimization low complexity fast convergence furthermore models robustness reliability underwent rigorous assessment using fivefold leaveoneout crossvalidation yrandomization statistics including concordance correlation coefficient ccc formula see text formula see text formula see text among models nlmixsvm model established support vector regression using nonlinear combination radial basis kernel function sigmoid kernel function linear kernel function new kernel function demonstrated excellent learning generalization abilities well robustness formula see text 09581 mean square error mse 00199 training set formula see text 09528 mse 00174 test set formula see text formula see text ccc formula see text formula see text formula see text 09539 08908 09752 09529 09528 09633 respectively nlmixsvm method proved promising way quantitative structureactivity relationship research addition molecular docking experiments conducted analyze properties new derivatives new potential candidate drug molecule ultimately found summary study provide help design screening novel antitrypanosome drugs