Machine learning-based prediction of toxicity of organic compounds towards fathead minnow
Xingmei Chen, Limin Dang, Hai Yang, Xianwei Huang, Xinliang Yu
Abstract
= 0.744) were satisfactory in predicting acute toxicity in fathead minnows compared with other models reported in the literature, although our SVM model has only six molecular descriptors and a large data set for the test set consisting of 481 compounds.
Topics & Concepts
MinnowPimephales promelasToxicityChemistryEnvironmental chemistryEnvironmental scienceArtificial intelligenceComputer scienceBiologyFisheryFish <Actinopterygii>Organic chemistrySpectroscopy and Chemometric AnalysesComputational Drug Discovery MethodsAdvanced Chemical Sensor Technologies