Comparison of the performance of different “local reactive descriptors” in 3D-QSAR analysis of enantioselective molecules

The interaction between Ligand-Receptor (L-R) to solve the pharmacological and toxicological problems of enantioselective molecules was studied as 3D Quantitative Structure-Activity Relationship (3D-QSAR). The biological activity of enantiomers of stereo isomeric molecules that differ in 3D can only...

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Veröffentlicht in:	Structural chemistry 2022-04, Vol.33 (2), p.433-443
Hauptverfasser:	Kızılcan, Dilek Şeyma, Türkmenoğlu, Burçin, Güzel, Yahya
Format:	Artikel
Sprache:	eng
Schlagworte:	Biological activity Chemistry Chemistry and Materials Science Comparative analysis Computer Applications in Chemistry Enantiomers Molecular orbitals Molecular structure Original Research Pharmacology Physical Chemistry Receptors Stereoisomers Theoretical and Computational Chemistry Three dimensional models
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