QSAR modeling of algal low level toxicity values of different phenol and aniline derivatives using 2D descriptors
Arnab Seth, Kunal Roy
Topics & Concepts
Quantitative structure–activity relationshipSubstituentChemistryAnilinePhenolNitroChlorineAcute toxicityLipophilicityToxicityComputational chemistryStereochemistryOrganic chemistryAlkylComputational Drug Discovery MethodsMetabolomics and Mass Spectrometry StudiesMachine Learning in Materials Science