QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods
Samir Chtita, Assia Belhassan, Mohamed Bakhouch, Abdelali Idrissi Taourati, Adnane Aouidate, Salah Belaıdı, M. Moutaabbid, Saïd Belaaouad, Mohammed Bouachrıne, Tahar Lakhlifi
Topics & Concepts
Quantitative structure–activity relationshipChemistryDensity functional theoryComputational chemistryMoleculeTest setMolecular descriptorBasis setQuantum chemistryBiological systemStereochemistryComputer scienceArtificial intelligenceOrganic chemistryBiologySupramolecular chemistryComputational Drug Discovery MethodsSynthesis and biological activityNonlinear Optical Materials Research