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

Hansch, Corwin., Fujita, Toshio.·1964·Journal of the American Chemical Society
DOI 10.1021/ja01062a035

Cited by (1,000)

Items 901–1,000 of 1,000

  1. Automated Propagation of Microbulbs of Lilies
    Shinsaku Takayama, B. Swedlund, Yoshiyuki Miwa · 1991 · Elsevier eBooks
  2. Extrathermodynamic approach to the study of the adsorption of organic compounds by macromolecules
    Corwin H. Hansch, Friederike Helmer · 1968 · Journal of Polymer Science Part A-1 Polymer Chemistry
  3. Structure—Activity relationships for mono alkylated or halogenated phenols
    Terry Wayne Schultz, Mariely Cajina-Quezada · 1987 · Toxicology Letters
  4. Some factors affecting the activities of dinitrophenol fungicides. II.—Use of g.l.c. partition data in studies of chemical structure/fungicidal activity against powdery mildew
    Derek R. Clifford, D. A. M. Watkins · 1971 · Pesticide Science
  5. Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition
    Peter B. R. Hartog, Fabian Krüger, Samuel Genheden, Igor V. Tetko · 2024 · Journal of Cheminformatics
  6. Spiers Memorial Lecture: How to do impactful research in artificial intelligence for chemistry and materials science
    Austin Cheng, Cher Tian Ser, Marta Skreta, Andrés Guzmán-Cordero, Luca Thiede, Andreas Burger, Abdulrahman Aldossary, Shi Xuan Leong, Sergio Pablo‐García, Felix Strieth‐Kalthoff et al. · 2024 · Faraday Discussions
  7. WITHDRAWN: QSAR analysis of imidazo[4,5-b]pyridine substituted α-Phenoxyphenylacetic acids as angiotensin II AT1 receptor antagonists
    Mukesh Chandra Sharma, Dharam Veer Kohli · 2011 · Journal of Saudi Chemical Society
  8. Sparse QSAR modelling methods for therapeutic and regenerative medicine
    David Alan Winkler · 2018 · Journal of Computer-Aided Molecular Design
  9. Synthesis, biological evaluation and QSAR study of a series of substituted quinazolines as antimicrobial agents
    Vipul M. Buha, Dharmaraj N. Rana, Mahesh T. Chhabria · 2012 · Medicinal Chemistry Research
  10. Permeability of fluid-phase phospholipid bilayers: assessment and useful correlations for permeability screening and other applications.
    J. Nitsche, G. Kasting · 2013 · Journal of Pharmacy and Science
  11. The “ETA” Indices in QSAR/QSPR/QSTR Research
    Kunal Roy, Rudra Narayan Das · 2016 · IGI Global eBooks
  12. Synthesis, characterization, and quantitative structure–activity relationship studies of bioactive dehydroacetic acid and amino ether Schiff base complexes
    Jai Devi, Suman Devi, Ashwani Kumar · 2016 · Heteroatom Chemistry
  13. Quantitative Structure-Activity Relationship Model for HCVNS5B inhibitors based on an Antlion Optimizer-Adaptive Neuro-Fuzzy Inference System
    Mohamed Abd Elaziz, Yasmine S. Moemen, Aboul Ella Hassanien, Shengwu Xiong · 2018 · Scientific Reports
  14. Ligand-based design, synthesis, and experimental evaluation of novel benzofuroxan derivatives as anti-Trypanosoma cruzi agents
    Salomão Dória Jorge, Fanny Palace‐Berl, Kerly Fernanda Mesquita Pasqualoto · 2013 · European Journal of Medicinal Chemistry
  15. Structure-Activity Analysis of Tetrahydrofolate Analogs Using Substituent Constants and Regression Analysis
    Elinor Miller, Corwin H. Hansch · 1967 · Journal of Pharmaceutical Sciences
  16. Synthesis, characterization, biological evaluation and QSAR studies of 11-p-substituted phenyl-12-phenyl-11a,12-dihydro-11H-indeno[2,1-c][1,5]benzothiazepines as potential antimicrobial agents
    Satbir Mor, Preeti Pahal, Balasubramanian Narasimhan · 2012 · European Journal of Medicinal Chemistry
  17. Quantum chemistry based quantitative structure-activity relationships for modeling the (sub)acute toxicity of substituted mononitrobenzenes in aquatic systems
    Elton Zvinavashe, Albertinka Jacoba Murk, Jacques J. M. Vervoort · 2006 · Environmental Toxicology and Chemistry
  18. Simultaneous determination of cefazolin in rat blood and brain by microdialysis and microbore liquid chromatography
    Tung‐Hu Tsai, Y.F Chen · 2000 · Biomedical Chromatography
  19. A comparison of the lethality of chlorinated pyridines and a study of the acute toxicity of 2-chloropyridine
    P.J. Gehring, Theodore R. Torkelson, F. Oyen · 1967 · Toxicology and Applied Pharmacology
  20. Effect of acrylamide and related compounds on glycolytic enzymes of rat brain
    Hideji Tanii, Kazuo Hashimoto · 1985 · Toxicology Letters
  21. Measurement and prediction of hydrophobicity parameters for highly lipophilic compounds: Application of the HPLC column-switching technique to measurement of log P of diarylpyrazines
    Chisako Yamagami, Kozue Araki, Kyoko Ohnishi · 1999 · Journal of Pharmaceutical Sciences
  22. Introduction: A Review of QSAR Methodology
    C. John Blankley · 1983 · Medicinal chemistry
  23. Classical QSAR Modeling of CCR5 Receptor Binding Affinity of Substituted Benzylpyrazoles
    J. Thomas Leonard, Kunal Roy · 2004 · QSAR & Combinatorial Science
  24. Three-Dimensional common-Feature hypotheses for octopamine agonist 2-(arylimino)imidazolidines
    Akinori Hirashima, Masako Morimoto, Eiichi Kuwano · 2002 · Bioorganic & Medicinal Chemistry
  25. Time‐dose‐response relationships of pyrethroid insecticides with special reference to knockdown
    Martyn Glenn Ford, David R. Pert · 1974 · Pesticide Science
  26. Applicability of gas-liquid chromatography in determining liquid-liquid partition data
    Klara Livia Valko, Andreas Ludwig Lopata · 1982 · Journal of Chromatography A
  27. A Three‐Dimensional Technique for the Calculation of Octanol‐Water Partition Coefficients
    Chris L. Waller · 1994 · Quantitative Structure-Activity Relationships
  28. The multiclass ARKA framework for developing improved q-RASAR models for environmental toxicity endpoints
    Arkaprava Banerjee, Kunal Roy · 2025 · Environmental Science Processes & Impacts
  29. Review of the state of science and evaluation of currently available in silico prediction models for reproductive and developmental toxicity: A case study on pesticides
    Anastasia Weyrich, Madeleine Joel, Geertje Lewin · 2022 · Birth Defects Research
  30. Construction of QSAR model based on cysteine‐containing dipeptides and screening of natural tyrosinase inhibitors
    Xiaofang Li, Fei Pan, Zichen Yang · 2022 · Journal of Food Biochemistry
  31. Multiple Instance Learning Improves Ames Mutagenicity Prediction for Problematic Molecular Species
    Samuel V. Feeney, Raymond Lui, Davy Guan · 2023 · Chemical Research in Toxicology
  32. QSAR study of ACK1 inhibitors by genetic algorithm–multiple linear regression (GA–MLR)
    Eslam Pourbasheer, Reza Aalizadeh, Mohammad Reza Ganjali · 2014 · Journal of Saudi Chemical Society
  33. Synthesis, antimicrobial, anticancer evaluation and QSAR studies of N′-substituted benzylidene/2-hydroxynaphthalen-1-ylmethylene/3-phenylallylidene/5-oxopentylidene -4-(2-oxo-2-(4H-1,2,4-triazol-4-yl) methylamino)benzohydrazides
    Sumit Tahlan, Pradeep Kumar, Kalavathy Ramasamy · 2013 · Arabian Journal of Chemistry
  34. Docking and QSAR studies of β-phenylethylidenehydrazine derivatives as a Gamma-aminobutyric acid aminotransferase inhibitor
    Asghar Davood, Maryam Iman · 2010 · Medicinal Chemistry Research
  35. Necklace-like nanostructures of cadmium hydroxide: Controlled synthesis with bubble-template and its separation property on dye
    Jun Zhu, Xuefeng Qian · 2008 · Solid State Sciences
  36. Role of mathematical chemodescriptors and proteomics‐based biodescriptors in drug discovery
    Subhash C. Basak · 2010 · Drug Development Research
  37. A systematic strategy for the investigation of vaccines and drugs targeting bacteria
    Fangfang Yan, Feng Gao · 2020 · Computational and Structural Biotechnology Journal
  38. Synthesis, antimicrobial, anticancer and QSAR studies of 1-[4-(substituted phenyl)-2-(substituted phenyl azomethyl)-benzo[b]-[1,4]diazepin-1-yl]-2-substituted phenylaminoethanones
    Deepak Verma, Pradeep Kumar, Balasubramanian Narasimhan · 2015 · Arabian Journal of Chemistry
  39. Artificial neural network studies in quantitative structure-activity relationships of antifungal azoxy compounds
    Kiyoshi Hasegawa, TAKEO DEUSHI, O. Yaegashi · 1995 · European Journal of Medicinal Chemistry
  40. Substituent effect and enthalpy-entropy compensation on the inclusion of?-cyclodextrin with 1-substituted naphthalenes
    Qingxiang Guo, Xiaoqi Zheng, Xiu-Qin Ruan · 1996 · Journal of Inclusion Phenomena and Macrocyclic Chemistry
  41. Pharmacokinetic Considerations in Rational Drug Design
    Mark Gumbleton, Walter Sneader · 1994 · Clinical Pharmacokinetics
  42. Three-dimensional pharmacophore hypotheses for the locust neuronal octopamine receptor (OAR3). Part 2: agonists
    Akinori Hirashima, Canping Pan, Eiichi Kuwano · 1999 · Bioorganic & Medicinal Chemistry
  43. Reversed-Phase Systems for the Separation of Coumarins and Furocoumarins by Thin-Layer and High-Performance Liquid Chromatography
    Kazimierz Głowniak, Maria L. Bieganowska · 1985 · Journal of Liquid Chromatography
  44. Biodegradability of pesticides in water by microbes in activated sludge, soil and sediment
    Jun Kanazawa · 1987 · Environmental Monitoring and Assessment
  45. Factors affecting the binding of tricyclic tranquillizers and antidepressants to human serum albumin
    Derek Sharples · 1976 · Journal of Pharmacy and Pharmacology
  46. Modelling Structure‐Activity Relationships
    Gianpaolo Bravi, Emanuela Gancia, Darren V. S. Green · 2000 · Methods and principles in medicinal chemistry
  47. Prediction of the non-specific cardiodepressant effects of β-adrenoceptor blocking agents in vitro and in vivo by means of the Hansch analysis
    Dieter Hellenbrecht, Klaus Müller, H. Grobecker · 1974 · European Journal of Pharmacology
  48. Structure-activity relationships of 1,2,3-benzothiadiazoles as synergists for carbaryl against the house fly (Musca domestica)
    D.L. Gil, C.F. Wilkinson · 1976 · Pesticide Biochemistry and Physiology
  49. Molecular Concepts
    Peter C. Jurs, Steven L. Dixon, Leanne M. Egolf · 1995 · Methods and principles in medicinal chemistry
  50. Bioinformatics and Cheminformatics Tools in Early Drug Discovery
    Palak K. Parikh, Jignasa Savjani, Anuradha Ketan Gajjar, Mahesh T. Chhabria · 2023 · Wiley eBooks
  51. Contrasting Historical and Physical Perspectives in Asymmetric Catalysis: ΔΔ G ≠ versus Enantiomeric Excess
    Marcel Ruth, Tobias Gensch, Peter R. Schreiner · 2024 · Angewandte Chemie International Edition
  52. Application of artificial intelligence to quantitative structure–retention relationship calculations in chromatography
    Jingru Xie, Si Chen, Liang Zhao · 2024 · Journal of Pharmaceutical Analysis
  53. HyperPCM: Robust Task-Conditioned Modeling of Drug–Target Interactions
    Emma Svensson, Pieter-Jan Hoedt, Sepp Hochreiter, Günter Klambauer · 2024 · Journal of Chemical Information and Modeling
  54. X-ray Crystallographic Structures as a Source of Ligand Alignment in 3D-QSAR
    Rafał Urniaż, Krzysztof Jóźwiak · 2013 · Journal of Chemical Information and Modeling
  55. QSAR analysis of salicylamide isosteres with the use of quantum chemical molecular descriptors
    Rafael Doležal, Sofie Van Damme, Patrick Bultinck, Karel Waisser · 2008 · European Journal of Medicinal Chemistry
  56. Antimicrobial evaluation of 4-methylsulfanyl benzylidene/3-hydroxy benzylidene hydrazides and QSAR studies
    Davinder Kumar, Rakesh Narang, Vikramjeet Judge · 2011 · Medicinal Chemistry Research
  57. QSAR study of some CCR5 antagonists as anti-HIV agents using radial basis function neural network and general regression neural network on the basis of principal components
    Mohsen Shahlaei, Armin Madadkar‐Sobhani, Afshin Fassihi · 2011 · Medicinal Chemistry Research
  58. Influence of variation in mobile phase pH and solute pKa with the change of organic modifier fraction on QSRRs of hydrophobicity and RP-HPLC retention of weakly acidic compounds
    Shuying Han, Chao Liang, Kuan Zou · 2012 · Talanta
  59. Correlation between structure, retention and activity of cholic acid derived cis–trans isomeric bis‐steroidal tetraoxanes
    Sandra B. Šegan, Filip Lj. Andrić, Aleksandra Radoičić · 2011 · Journal of Separation Science
  60. Experimental Evidence of the Presence of Bimolecular Caffeine/Catechin Complexes in Green Tea Extracts
    Luisa Mattoli, Valentino Mercati, Michela Burico · 2018 · Journal of Natural Products
  61. Discovery of CDK4 Inhibitors By Convolutional Neural Networks
    Yinqiu Xu, Pingping Chen, Xinhao Lin, Hequan Yao, Kejiang Lin · 2018 · Future Medicinal Chemistry
  62. Degradation of azo dyes by cell‐free extract from Pseudomonas stutzeri
    Chizuko Yatome, Toshihiko Ogaw, Hiroyuki Hishida · 1990 · Journal of the Society of Dyers and Colourists
  63. Use of a three-phase model with hydroxypropyl-βyclodextrin for the direct determination of large octanol-water and cyclodextrin-water partition coefficients
    Randy A. Menges, Daniel Wayne Armstrong · 1991 · Analytica Chimica Acta
  64. On a Fragment Approach to Structure‐activity Correlations
    Milan Randić, Peter C. Jurs · 1989 · Quantitative Structure-Activity Relationships
  65. Drug Discovery: Historical Perspective, Current Status, and Outlook
    Paul Erhardt, John Proudfoot · 2007 · Elsevier eBooks
  66. Growth Responses ofNeurospora crassato Increased Partial Pressures of the Noble Gases and Nitrogen
    Rudolph G. Buchheit, Heinz R. Schreiner, Gerald F. Doebbler · 1966 · Journal of Bacteriology
  67. Metabolism and toxicity of halogenated carbanilides: Absorption, distribution and excretion of radioactivity from 3,4,4′-trichloro[14c]carbanilide (tcc) and 3-trifluoromethyl-4,4′dichloro [14c]carbanilide (tfc) in rats
    Richard A. Hiles · 1977 · Food and Cosmetics Toxicology
  68. An early history of the molecular modeling industry
    Allen B. Richon · 2008 · Drug Discovery Today
  69. Novelties in the field of macrolides
    A. Bryskier · 1997 · Expert Opinion on Investigational Drugs
  70. Computer assisted structure–taste studies on sulfamates by pattern recognition method using graph theoretical invariants
    Tohru Okuyama, Yoshikatsu Miyashita, Shigehiko Kanaya · 1988 · Journal of Computational Chemistry
  71. Molecular Binding Interactions: Their Estimation and Rationalization in QSARs in Terms of Theoretically Derived Parameters
    David F.V. Lewis, Howard B. Broughton · 2002 · The Scientific World JOURNAL
  72. A Critical Assessment of Boron Target Compounds for Boron Neutron Capture Therapy
    M. Frederick Hawthorne, Mark W. Lee · 2003 · Journal of Neuro-Oncology
  73. 3D QSAR in modern drug design
    Glen E. Kellogg, Simon F. Semus · 2003 · Birkhäuser Basel eBooks
  74. l-Phenylalanine ammonia-lyase (maize, potato, and Rhodotorula glutinis)
    Kenneth R. Hanson, Evelyn A. Havir · 1977 · Archives of Biochemistry and Biophysics
  75. Cholinesterase inhibitory prognoses of thirty-six alkyl substituted 3-carbamoylpiperidines
    William Paul Purcell · 1965 · Biochimica et Biophysica Acta (BBA) - Enzymology and Biological Oxidation
  76. Luddite: An Information-Theoretic Library Design Tool
    Jennifer L. Miller, Erin K. Bradley, Steven L. Teig · 2003 · Journal of Chemical Information and Computer Sciences
  77. The ortho effect in quantitative structure—activity correlations
    Toshio Fujita · 1981 · Analytica Chimica Acta
  78. The position of reversed-phase thin-layer chromatography amongst solvent partitioning techniques
    Roelof F. Rekker · 1984 · Journal of Chromatography A
  79. Is there a relationship between the physical properties and cardioselectivity of beta‐adrenoceptor antagonists?
    David B. Jack · 1981 · British Journal of Clinical Pharmacology
  80. Exploring the Artificial Intelligence and Its Impact in Pharmaceutical Sciences: Insights Toward the Horizons Where Technology Meets Tradition
    Shruti Bharadwaj, Kumari Deepika, Asim Kumar, Shivani Jaiswal, Shaweta Miglani, Damini Singh, Prachi Fartyal, Roshan Kumar, Shareen Singh, Mahendra Pratap Singh et al. · 2024 · Chemical Biology & Drug Design
  81. Design of antimalarial agents based on pyrimidine derivatives as methionine aminopeptidase 1b inhibitor: Molecular docking, quantitative structure activity relationships, and molecular dynamics simulation studies
    Maryam Iman, Asghar Davood, Ali Khamesipour · 2019 · Journal of the Chinese Chemical Society
  82. QSAR in drug discovery
    Alexander Tropsha · 2010 · Cambridge University Press eBooks
  83. QSAR in Chromatography: Quantitative Structure–Retention Relationships (QSRRs)
    Roman Kaliszan, Tomasz Bączek · 2009 · Challenges and advances in computational chemistry and physics
  84. The MIA‐QSAR Method for the Prediction of Bioactivities of Possible Acetylcholinesterase Inhibitors
    Michelle Bitencourt, Matheus P. Freitas, Roberto Rittner · 2012 · Archiv der Pharmazie
  85. Design, Synthesis, Antifungal Activities and 3D-QSAR of New N,N'-Diacylhydrazines Containing 2,4-Dichlorophenoxy Moiety
    Na-Bo Sun, Yan‐Xia Shi, Xing‐Hai Liu · 2013 · International Journal of Molecular Sciences
  86. Differential scanning fluorimetric analysis of the amino-acid binding to taste receptor using a model receptor protein, the ligand-binding domain of fish T1r2a/T1r3
    Takashi Yoshida, N. Yasui, Yuko Kusakabe, Chiaki Ito, Miki Akamatsu, Atsuko Yamashita · 2019 · PLoS ONE
  87. Prediction of Solubility of Nonionic Solutes in Anionic Micelle (SDS) Using a QSPR Model
    Jahan Bakhsh Ghasemi, Azizeh Abdolmaleki, Saeid Asadpour · 2007 · QSAR & Combinatorial Science
  88. QSAR/QSPR as an Application of Artificial Neural Networks
    Narelle Montañez-Godínez, A.C. Martínez-Olguín, Omar Deeb · 2014 · Methods in molecular biology
  89. Cinnamic Derivatives as Antitubercular Agents: Characterization by Quantitative Structure–Activity Relationship Studies
    Cátia A. S. Teixeira, Cristina M. Ventura, José R. B. Gomes, Paula A. C. Gomes, Filomena E. L. Martins · 2020 · Molecules
  90. Mechanisms of herbicide sorption in microalgae and the influence of environmental factors
    Wiltrud Neumann, Henrik Laasch, Wolfgang Urbach · 1987 · Pesticide Biochemistry and Physiology
  91. Comparison of three different QSAR/QSPR generation techniques
    Brian T. Luke · 1999 · Journal of Molecular Structure THEOCHEM
  92. 4-(1-Aryl-5-chloro-2-oxo-1,2-dihydro-indol-3-ylideneamino)-N-substituted benzene sulfonamides: Synthesis, antimicrobial, anticancer evaluation and QSAR studies
    Mahesh C. Kumar, Balasubramanian Narasimhan, Pradeep Kumar · 2013 · Arabian Journal of Chemistry
  93. Glucocorticoid specific binding: structure-activity relationships
    Braham Shroot, J Caron, Maria Ponec · 1982 · British Journal of Dermatology
  94. Consumer acceptance of transgenic crops
    Lynn Jayne Frewer, Chaya Howard, Jackie I. Aaron · 1998 · Pesticide Science
  95. Conformation Partition and Drug Design
    Robin H. Davies, Brian Sheard, Peter J. Taylor · 1979 · Journal of Pharmaceutical Sciences
  96. Structure–activity studies on the fungitoxicity of some triorganotin(IV) compounds
    A J Kuthubtheen, Wickneswari Ratnam, V. G. Kumar Das · 1989 · Applied Organometallic Chemistry
  97. Molecular basis of the protonophoric and uncoupling activities of the potent uncoupler SF-6847 ((3,5-di-tert-butyl-4-hydroxybenzylidene)malononitrile) and derivatives. Regulation of their electronic structures by restricted intramolecular rotation
    Hiroshi Terada, Noriyuki Kumazawa, Motoharu Ju‐ichi · 1984 · Biochimica et Biophysica Acta (BBA) - Bioenergetics
  98. In vitro neurotoxicity study with dorsal root ganglia for acrylamide and its derivatives
    Hideji Tanii, Kazuo Hashimoto · 1991 · Toxicology Letters
  99. SIGLEC-4 (MAG) antagonists: From the natural carbohydrate epitope to glycomimetics
    Schwardt, Oliver, Kelm, Soerge, Ernst, Beat · 2013 · Topics in current chemistry
  100. Untitled work
    Dinan · 1999 · 10.1002/(sici)1520-6327(1999)41:1