Quasi-SMILES: Self-consistent models for toxicity of organic chemicals to tadpoles
Andrey A. Toropov, Matteo Riccardo Di Nicola, Alla P. Toropova, Alessandra Roncaglioni, J.L.C.M. Dorne, Emilio Benfenati
Topics & Concepts
Smiles rearrangementLogarithmBiological systemRepresentation (politics)Quantitative structure–activity relationshipToxicityEnvironmental chemistryChemistryToxicologyMathematicsBiologyStereochemistryPoliticsLawOrganic chemistryMathematical analysisPolitical scienceComputational Drug Discovery MethodsEnvironmental Toxicology and Ecotoxicologythermodynamics and calorimetric analyses