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Table 2 Classification or ML methods used, along with reference to the R library used.

From: A comparison of machine learning algorithms for chemical toxicity classification using a simulated multi-scale data model

ML Method Description Library
KNN K-nearest neighbors (N = 3,5) MLInterfaces [50]
NB Naïve Bayes e1071 [51]
LDA Linear Discriminant Analysis MLInterfaces [50]
SVM Support Vector Machine (kernel = radial, cost = 100) e1071 [51]
ANN Artificial Neural Networks (size = 10, range = 0.5, decay = 0.0001, maxit = 200, MaxNWts = 10000) e1071 [51]
RPART Recursive Partitioning and Regression Trees (method = class, cp = 0, usesurrogate = 2 e1071 [51]