DFT based QSARs for inhibitory activity of coumarins towards tumor-associated isoform (CA...

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QSAR modeling of pyrazoline derivative as carbonic anhydrase inhibitors

I Hammoudan, M Chafi - Environmental Science and Pollution Research, 2023 - Springer
The efficacy of 34 pyrazoline derivatives as carbonic anhydrase inhibitors was studied in
silico. The quantum descriptors were calculated by the DFT/B3LYP method using the 6-31G …
Mentés Hivatkozás Idézetek száma: 1 Kapcsolódó cikkek Mind a(z) 5 változat

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

DŞ Kızılcan, B Türkmenoğlu, Y Güzel - Structural Chemistry, 2022 - Springer
Abstract The interaction between Ligand-Receptor (LR) to solve the pharmacological and
toxicological problems of enantioselective molecules was studied as 3D Quantitative …
Mentés Hivatkozás Idézetek száma: 3 Kapcsolódó cikkek Mind a(z) 3 változat