All Stories

  1. Navigating the chemical space of dipeptidyl peptidase-4 inhibitors
  2. Computer-Aided Drug Design of Bioactive Natural Products
  3. On the Origins of Hepatitis C Virus NS5B Polymerase Inhibitory Activity Using Machine Learning Approaches
  4. Large-scale QSAR study of aromatase inhibitors using SMILES-based descriptors
  5. Synthesis, biological evaluation and molecular docking of novel chalcone–coumarin hybrids as anticancer and antimalarial agents
  6. Synthesis, anticancer activity and QSAR study of 1,4-naphthoquinone derivatives
  7. Illuminating the origins of spectral properties of green fluorescent proteins via proteochemometric and molecular modeling
  8. Investigation of aromatase inhibitory activity of metal complexes of 8-hydroxyquinoline and uracil derivatives
  9. Design, synthesis and molecular docking studies of novel N-benzenesulfonyl-1,2,3,4-tetrahydroisoquinoline-based triazoles with potential anticancer activity
  10. Predictive QSAR modeling of aldose reductase inhibitors using Monte Carlo feature selection
  11. QSAR Study of H1N1 Neuraminidase Inhibitors from Influenza a Virus
  12. Insights into antioxidant activity of 1-adamantylthiopyridine analogs using multiple linear regression
  13. QSAR modeling of aromatase inhibition by flavonoids using machine learning approaches
  14. QSAR modeling of aromatase inhibitory activity of 1-substituted 1,2,3-triazole analogs of letrozole
  15. Genetic algorithm search space splicing particle swarm optimization as general-purpose optimizer
  16. Exploring the chemical space of aromatase inhibitors
  17. A Unified Proteochemometric Model for Prediction of Inhibition of Cytochrome P450 Isoforms
  18. Trapping of Human Hemoglobin by Haptoglobin: Molecular Mechanisms and Clinical Applications
  19. Molecular Modeling of the Human Hemoglobin-Haptoglobin Complex Sheds Light on the Protective Mechanisms of Haptoglobin
  20. Synthesis, cytotoxicity and QSAR study of N-tosyl-1,2,3,4-tetrahydroisoquinoline derivatives
  21. Predicting antimicrobial activities of benzimidazole derivatives
  22. QSAR study of amidino bis-benzimidazole derivatives as potent anti-malarial agents against Plasmodium falciparum
  23. Quantitative structure–property relationship study of spectral properties of green fluorescent protein with support vector machine
  24. Cytotoxicity and QSAR study of (thio)ureas derived from phenylalkylamines and pyridylalkylamines
  25. Determining the optimal cutoff points for waist circumference and body mass index for identification of metabolic abnormalities and metabolic syndrome in urban Thai population
  26. Exploring the physicochemical properties of templates from molecular imprinting literature using interactive text mining approach
  27. Predicting the free radical scavenging activity of curcumin derivatives
  28. Antioxidant, cytotoxicity, and QSAR study of 1-adamantylthio derivatives of 3-picoline and phenylpyridines
  29. Molecular Docking of Aromatase Inhibitors
  30. Synthesis and structure–activity relationship of 2-thiopyrimidine-4-one analogs as antimicrobial and anticancer agents
  31. Identification of metabolic syndrome using decision tree analysis
  32. Advances in computational methods to predict the biological activity of compounds
  33. Solving the barriers to diabetes education through the use of multimedia
  34. Elucidating the Structure-Activity Relationships of the Vasorelaxation and Antioxidation Properties of Thionicotinic Acid Derivatives
  35. Synthesis and Theoretical Study of Molecularly Imprinted Nanospheres for Recognition of Tocopherols
  36. Copper complexes of pyridine derivatives with superoxide scavenging and antimicrobial activities
  37. Lower BMI cutoff for assessing the prevalence of metabolic syndrome in Thai population
  38. Modeling the LPS Neutralization Activity of Anti-Endotoxins
  39. Modeling the activity of furin inhibitors using artificial neural network
  40. Computational Insights on Sulfonamide Imprinted Polymers
  41. Copper Complexes of Nicotinic-Aromatic Carboxylic Acids as Superoxide Dismutase Mimetics
  42. Prediction of bond dissociation enthalpy of antioxidant phenols by support vector machine
  43. QSAR MODEL OF THE QUORUM-QUENCHING N-ACYL-HOMOSERINE LACTONE LACTONASE ACTIVITY
  44. EDTA-induced Membrane Fluidization and Destabilization: Biophysical Studies on Artificial Lipid Membranes
  45. Quantitative structure-imprinting factor relationship of molecularly imprinted polymers
  46. Prediction of GFP spectral properties using artificial neural network
  47. Metalloantibiotic Mn(II)–bacitracin complex mimicking manganese superoxide dismutase
  48. Quantitative prediction of imprinting factor of molecularly imprinted polymers by artificial neural network