Comprehensive machine learning prediction of GC/MS pesticide recovery based on the molecular fingerprinting for food QA/QC
Posters | 2019 | Agilent TechnologiesInstrumentation
GC/MSD
IndustriesFood & Agriculture
ManufacturerAgilent Technologies
Key wordslearning, machine, 𝑖𝑗, descriptor, smiles, recovery, pek, atoms, generalization, pesticide, prediction, index, methods, pesticides, 𝑦ത, correlation, σ𝑁, 𝑃𝐸𝑗, petitjean, polarizabilities, xlogp, caret, spline, topological, strings, ensemble, number, category, implicit, rate, hydrogens, sum, neural, ordinary, molecular, fingerprinting, coefficient, crops, between, performance, bound, sbc, xgblinear, σ𝑀, 𝑃𝐸𝑘, 𝑦𝑜𝑏𝑠, building, subtractive, rcdk, models
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