Developing machine learning approaches to identify candidate persistent, mobile and toxic (PMT) and very persistent and very mobile (vPvM) substances based on molecular structure
Han Min, Biao Jin, Jun Liang, Chen Huang, Hans Peter H. Arp
Topics & Concepts
Machine learningArtificial intelligenceComputer scienceTest setIdentification (biology)Data miningChemistryBotanyBiologyComputational Drug Discovery MethodsWater Quality Monitoring and AnalysisMetabolomics and Mass Spectrometry Studies