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Classifying the pesticides in foods between GC-amenable and LC-amenable using the prediction model with molecular descriptors

 

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Poster Reprint ASMS 2019 TP298 Comprehensive machine learning prediction of GC/MS pesticide recovery based on the molecular fingerprinting for food QA/QC Takeshi Serino* 1,2; Sadao Nakamura1; Yoshizumi Takigawa1; Norton Kitagawa3; Shigehiko Kanaya 2 1 Agilent Technologies, Hachioji City, Japan 2…
Key words
learning, learningmachine, machine𝑖𝑗, 𝑖𝑗descriptor, descriptorsmiles, smilesrecovery, recoverypek, pekatoms, atomsgeneralization, generalizationpesticide, pesticideprediction, predictionindex, indexpesticides, pesticidesmethods, methods𝑦ത
Agilent ASMS 2020 Posters Book
2020|Agilent Technologies|Posters
Poster Reprint ASMS 2020 MP 176 Using ICP-MS/MS with M-Lens for the analysis of high silicon matrix samples Yu Ying1; Xiangcheng Zeng1 1Agilent China Technologies, China, Shanghai, Introduction The expansion of the connected devices and the Internet of Things (IoT)…
Key words
peptide, peptidereprint, reprintwere, wereposter, postermethod, methoddiscussion, discussionresults, resultspositive, positiveclassification, classificationboth, bothusing, usingexperimental, experimentalanalysis, analysisrecovery, recoverysample
Poster Reprint ASMS 2020 ThP 177 Optimum molecular descriptors based on 89 machine learning methods for predicting the recovery rate of pesticides in crops by GC-MS Takeshi Serino 1, 2, Sadao Nakamura 1, Yoshizumi Takigawa 1, Tarun Anumol 3, Md.…
Key words
mds, mdsdescriptors, descriptorscluster, clusterdescriptor, descriptorclustering, clustering𝑖𝑗, 𝑖𝑗atoms, atomsmolecular, moleculargraph, graphcorrelation, correlationlearning, learningordinary, ordinaryprediction, predictionmachine, machinecorrelated
Application Note Food Testing & Agriculture A Fast Analysis of the GC/MS/MS Amenable Pesticides Regulated by the California Bureau of Cannabis Control Authors Ron Honnold1, Eric Fausett1, Jessica Westland1, and Anthony Macherone1,2 1 Agilent Technologies, Inc. 2 The Johns Hopkins…
Key words
wide, widefalse, falsepentachloronitrobenzene, pentachloronitrobenzenechlordane, chlordanecaptan, captancannabis, cannabispesticides, pesticidesparathion, parathionacquisition, acquisitiontime, timeempirical, empiricalcalifornia, californiacounts, countsmycotoxins, mycotoxinspost
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