p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure

Cited by (1,000)

Items 601–700 of 1,000

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   Mark Yuan, Peter C. Jurs · 1980 · Toxicology and Applied Pharmacology
3. The QSAR Paradigm in the Design of Less Toxic Molecules
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5. Towards understanding aromatase inhibitory activity via QSAR modeling
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6. Development of QSAR models for evaluating pesticide toxicity against Skeletonema costatum
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8. Structure–Activity Relationships of Benzoic Acid Derivatives as Antifeedants for the Pine Weevil, Hylobius abietis
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13. Synthesis and anti-HIV activity of catanionic analogs of galactosylceramide
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14. Relationship between molar refraction and n-octanol/water partition coefficient
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15. Use of pH and Kinetic Isotope Effects to Dissect the Effects of Substrate Size on Binding and Catalysis by Nitroalkane Oxidase
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16. Chromatographic quantitation of the hydrophobicity of ionic compounds by the use of micellar mobile phases
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17. THEORY OF CARCINOGENIC ACTIVITY OF AROMATIC HYDROCARBONS*
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20. Introducing new dimensions in MIA-QSAR: A case for chemokine receptor inhibitors
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21. QSAR modeling of synthesized 3-(1,3-benzothiazol-2-yl) 2-phenyl quinazolin-4(3H)-ones as potent antibacterial agents
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22. QSAR of cytochrome inhibitors
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29. Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants
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30. Phytotoxicity evaluation of sesquiterpene lactones and diterpenes from species of the Decachaeta , Salvia and Podachaenium genera
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31. Application of (quantitative) structure–activity relationships to progestagens: from serendipity to structure-based design
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33. Solvatochromic Analysis of the Retention Mechanism of two Novel Stationary Phases Used for Measuring Lipophilicity by RP-HPLC
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34. A General QSAR Model for Predicting the Acute Toxicity of Pesticides to Lepomis Macrochirus
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35. QSAR study on adenosine kinase inhibition of pyrrolo[2,3-d]pyrimidine nucleoside analogues using the hansch approach
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36. Strategy of Drug-Design
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38. Overexpression of prefoldin from the hyperthermophilic archaeum Pyrococcus horikoshii OT3 endowed Escherichia coli with organic solvent tolerance
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39. Lipophilicity assessement in drug discovery: Experimental and theoretical methods applied to xanthone derivatives
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40. QSAR by LFER model of cytotoxicity data of anti-HIV 5-phenyl-1-phenylamino-1H-imidazole derivatives using principal component factor analysis and genetic function approximation
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41. Interaction of substituted phenoxazine chemosensitizers with bovine serum albumin
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42. Retention–property relationships of anticonvulsant drugs by biopartitioning micellar chromatography
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44. A molecular orbital description of the partitioning of aromatic compounds between polar and nonpolar phases
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45. A General QSAR Model for Predicting the Acute Toxicity of Pesticides toOncorhynchus mykiss
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46. Analysing structure-function relationships with biosensors
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47. Evaluation of solute hydrophobicity by reversed-phase high performance liquid chromatography using aqueous binary mobile phases
    A. Kaibara, C. Hohda, Noriko Hirata · 1990 · Chromatographia
48. Struktur-Aktivit�t-Korrelation bei 1,2,4-Triazinonen, einer neuen Gruppe von Photosynthesehemmern [1]
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49. MolPredictX: Online Biological Activity Predictions by Machine Learning Models
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50. Global Performance and Trend of QSAR/QSPR Research: A Bibliometric Analysis
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51. Computer-Aided Drug Discovery in Plant Pathology
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52. Quinolones and their N-oxides as inhibitors of mitochondrial complexes I and III
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53. Synthesis of sulfanilamide derivatives and investigation of in vitro inhibitory activities and antimicrobial and physical properties
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54. Augmented Three‐mode MIA‐QSAR Modeling for a Series of Anti‐HIV‐1 Compounds
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56. Classical and three-dimensional QSAR for the inhibition of [3H]ponasterone A binding by diacylhydrazine-type ecdysone agonists to insect Sf-9 cells
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57. Review of quantitative structure‐activity/property relationship studies of dyes: recent advances and perspectives
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58. Investigation of antioxidant activity and lipophilicity parameters of some preservatives
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59. Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening
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60. Urinary Tract Infection: Which Conformation of the Bacterial Lectin FimH Is Therapeutically Relevant?
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61. A Novel Approach to QSPR/QSAR Based on Neural Networks for Structures
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62. A comparison of quantitative structure-activity relationships for the effect of benzoic and cinnamic acids on Listeria monocytogenes using multiple linear regression, artificial neural network and fuzzy systems
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63. 3-D QSAR analysis of inhibition of murine soluble epoxide hydrolase (MsEH) by benzoylureas, arylureas, and their analogues
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64. Structure-activity relationships in nitrosamine carcinogenesis
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65. The OASIS concept for predicting the biological activity of chemical compounds
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66. Comparative Binding of Disopyramide Phosphate and Quinidine Sulfate to Human Plasma Proteins
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67. Structure-activity relationships of 1,2,3-benzothiadiazole insecticide synergists as inhibitors of microsomal oxidation
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68. structure‐activity relationship of genotoxic polycyclic aromatic nitro compounds: Further evidence for the importance of hydrophobicity and molecular orbital energies in genetic toxicity
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69. 5-Nitro-2-furfuriliden derivatives as potential anti-Trypanosoma cruzi agents: Design, synthesis, bioactivity evaluation, cytotoxicity and exploratory data analysis
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76. QSAR and conformational analysis of the antiinflammatory agent amfenac and analogues
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77. Quantitative analysis of the structure–hydrophobicity relationship for di- and tripeptides based on voltammetric measurements with an oil/water interface
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78. Lipophilicity assessment of basic drugs (logPo/w determination) by a chromatographic method
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81. Quantitative structure-activity relationships of nitroaromatic compounds to four aquatic organisms
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82. Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors
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89. Molecular structure descriptors in the computer-aided design of biologically active compounds
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90. In silico pharmacology: drug design and discovery’s gate to the future
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91. In Silico Prediction of Chemical-Induced Hepatocellular Hypertrophy Using Molecular Descriptors
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92. QSAR of adenosine A3 receptor antagonist 1,2,4-triazolo[4,3-a]quinoxalin-1-one derivatives using chemometric tools
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96. Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parameters
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97. Determination of Partition Coefficients of Glucocorticosteroids by High-Performance Liquid Chromatography
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100. Quantum molecular similarity measures
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