All Stories

  1. Ecotoxicological QSAR modelling of organic chemicals against Pseudokirchneriella subcapitata using consensus predictions approach
  2. Consensus QSPR modelling for the prediction of cellular response and fibrinogen adsorption to the surface of polymeric biomaterials
  3. Target prioritization of novel substituted 5-aryl-2-oxo-/thioxo-2,3-dihydro-1H-benzo[6,7]chromeno[2,3-d]pyrimidine-4,6,11(5H)-triones as anticancer agents using in-silico approach
  4. Risk assessment of heterogeneous TiO2-based engineered nanoparticles (NPs): a QSTR approach using simple periodic table based descriptors
  5. Design of antimalarial transmission blocking agents: Pharmacophore mapping of ligands active against stage-V mature gametocytes of Plasmodium falciparum
  6. QSPR modelling for prediction of glass transition temperature of diverse polymers
  7. Current approaches for choosing feature selection and learning algorithms in quantitative structure–activity relationships (QSAR)
  8. Toward comprehension of multiple human cells uptake of engineered nano metal oxides: quantitative inter cell line uptake specificity (QICLUS) modeling
  9. A Comparative Study on Selective PPAR Modulators through Quantitative Structure-activity Relationship, Pharmacophore and Docking Analyses
  10. Greener chemicals for the future: QSAR modelling of the PBT index using ETA descriptors
  11. Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?
  12. Exploring Structural Requirements of Imaging Agents Against Aβ Plaques in Alzheimer’s Disease: A QSAR Approach
  13. Understanding the Structural Requirements in Diverse Scaffolds for the Inhibition of P. falciparum Dihydroorotate Dehydrogenase (PfDHODH) Using 2D-QSAR, 3D-Pharmacophore and Structure-Based Energy- Optimized Pharmacophore Models
  14. The Current Status of Antimalarial Drug Research with Special Reference to Application of QSAR Models
  15. Editorial (Thematic Issue: Application of Chemometrics and Cheminformatics in Antimalarial Drug Research)
  16. First Report on Two-Fold Classification of Plasmodium falciparum Carbonic Anhydrase Inhibitors Using QSAR Modeling Approaches
  17. QSAR of Anti-alzheimer's agents
  18. A quantitative structure-property relationship approach to determine the essential molecular functionalities of potent odorants
  19. Exploration of Important Sites of Antimalarial Endochins for Optimum Structural Modification Using Group-Based QSAR (G-QSAR) Modeling