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Evaluation of molecular structure based descriptors for the prediction of pEC50(M) for the selective adenosine A2A Receptor

Nilima R. Das, Sneha Prabha Mishra, P. Ganga Raju Achary

2021Journal of Molecular Structure16 citationsDOI

Topics & Concepts

Quantitative structure–activity relationshipChemistryConformational isomerismMolecular descriptorStability (learning theory)Docking (animal)Adenosine receptorBiological systemArtificial intelligenceStereochemistryPattern recognition (psychology)MoleculeReceptorComputer scienceMachine learningBiochemistryOrganic chemistryMedicineNursingBiologyAgonistComputational Drug Discovery MethodsClick Chemistry and ApplicationsChemical Synthesis and Analysis
Evaluation of molecular structure based descriptors for the prediction of pEC50(M) for the selective adenosine A2A Receptor | Litcius