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Publications tagged with this subject: 19

Note: Top 50 publications shown only. Open an item panel to view more info (open all)


1. Index of Ideality of Correlation: new possibilities to validate QSAR: a case study

2. Quantitative structure-property relationship (QSPR) for prediction of CO2 Henry’s law constant in some physical solvents with consideration of temperature effects

3. Synthesis and antiproliferative activity of amino-substituted benzimidazo[1,2-$${\varvec{a}}$$ a ]quinolines as mesylate salts designed by 3D-QSAR analysis

4. QSAR modeling and in silico design of small-molecule inhibitors targeting the interaction between E3 ligase VHL and HIF-1$$\alpha $$ α

5. Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis $$(\mathbf{MPDS}^{\mathbf{TB}})$$ (MPDSTB)

6. QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors

7. Synthesis, biological evaluation, quantitative-SAR and docking studies of novel chalcone derivatives as antibacterial and antioxidant agents

8. Synthesis, characterization, antimicrobial evaluation and QSAR studies of organotin(IV) complexes of Schiff base ligands of 2-amino-6-substituted benzothiazole derivatives

9. New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists

10. Generation of new leads as HIV-1 integrase inhibitors: 3D QSAR, docking and molecular dynamics simulation

11. QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations

12. The Differential Absorption of a Series of P-Glycoprotein Substrates in Isolated Perfused Lungs from Mdr1a/1b Genetic Knockout Mice can be Attributed to Distinct Physico-Chemical Properties: an Insight into Predicting Transporter-Mediated, Pulmonary

13. Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure–activity relationship studies

14. An integrated approach with new strategies for QSAR models and lead optimization

15. Design, synthesis and QSAR studies of 2-amino benzo[d]thiazolyl substituted pyrazol-5-ones: novel class of promising antibacterial agents

16. Exploring in house glutamate inhibitors of matrix metalloproteinase-2 through validated robust chemico-biological quantitative approaches

17. Predicting DPP-IV inhibitors with machine learning approaches

18. Prediction of new Hsp90 inhibitors based on 3,4-isoxazolediamide scaffold using QSAR study, molecular docking and molecular dynamic simulation

19. QSAR Model for Mast Cell Stabilizing Activity of Indolecarboxamidotetrazole Compounds on Human Basophils


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