Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients

HANSCH, CORWIN, MALONEY, PEYTON P., FUJITA, TOSHIO, MUIR, ROBERT M.·1962·Nature

Cited by (1,000)

Items 601–700 of 1,000

  1. Applications of machine learning-based quantitative structure activity relationship (ML-QSAR) models in environmental science
    Chao Chen, Yujia Tan, Yawei Liu, Miaomiao Sun, Z. -L. Wang, Xiangyong Zheng, Zhemin Shen, Min Zhao · 2026 · Environmental Research
  2. Toward Integrative Predictive Toxicology: Advanced Methods for Drug Toxicity and Safety Prediction
    Eleonora Gianquinto, Matteo Bersani, Lucrezia Greta Armando, Lara Davani, Clara Cena, Angela De Simone, Francesca Spyrakis · 2026 · Wiley Interdisciplinary Reviews Computational Molecular Science
  3. Symbolic regression for the interpretation of quantitative structure-property relationships
    Katsushi Takaki, Tomoyuki Miyao · 2022 · Artificial Intelligence in the Life Sciences
  4. The Photodynamic Anticancer and Antibacterial Activity Properties of a Series of meso-Tetraarylchlorin Dyes and Their Sn(IV) Complexes
    Rodah C. Soy, Balaji Babu, John P. Mack, Tebello Nyokong · 2023 · Molecules
  5. Norm Indices-Driven Robust QSPR Model for Mining Temperature-Dependent Properties of Ionic Liquids
    Xiao Liu, Yu Gu, Mengxian Yu, Qingzhu Jia, Yin‐Ning Zhou, Fangyou Yan, Qiang Wang · 2023 · ACS Sustainable Chemistry & Engineering
  6. Quantitative Structure Activity/Toxicity Relationship through Neural Networks for Drug Discovery or Regulatory Use
    Marjana Novič · 2023 · Current Topics in Medicinal Chemistry
  7. Integrated virtual screening and in vitro studies for exploring the mechanism of triterpenoids in Chebulae Fructus alleviating mesaconitine-induced cardiotoxicity via TRPV1 channel
    Liangliang Song, Shuo Mi, Ying hui Zhao, Ziqin Liu, Jing Wang, Hongyue Wang, Wenhui Li, Jiasheng Wang, Wenting Zu, Hong Xia Du · 2024 · Frontiers in Pharmacology
  8. Promises and Perils of Big Data: Philosophical Constraints on Chemical Ontologies
    Rebekah Duke, Ryan E. McCoy, Chad M. Risko, Julia R. S. Bursten · 2024 · Journal of the American Chemical Society
  9. Introduction to QSAR and Other In Silico Methods to Predict Toxicity
    Judith Clare Madden · 2010 · Royal Society of Chemistry eBooks
  10. Differential Compound Prioritization via Bidirectional Selectivity Push with Power
    Junfeng Liu, Xia Ning · 2017 · Journal of Chemical Information and Modeling
  11. Application of Machine Learning Technology in the Prediction of ADME- Related Pharmacokinetic Parameters
    Ying Wang, Yonghua Zhan, Changhu Liu, Wenhua Zhan · 2022 · Current Medicinal Chemistry
  12. Artificial intelligence systems for the design of magic shotgun drugs
    José Teófilo Moreira‐Filho, Meryck Felipe Brito da Silva, Joyce Villa Verde Bastos Borba, Arlindo Rodrigues Galvão Filho, Eugene N. Muratov, Carolina Horta Andrade, Rodolpho C. Braga, Bruno J. Neves · 2022 · Artificial Intelligence in the Life Sciences
  13. Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
    João Bosco P. da Silva, Fernando Hallwass, Aluízio G. da Silva, Diogo Rodrigo Magalhães Moreira, MOZART NEVES RAMOS, José Wanderlan Pontes Espíndola, Ana Daura Travassos de Oliveira, Dalci José Brondani, Ana Cristina Lima Leite, Kenneth M. Merz · 2015 · Journal of Molecular Structure
  14. Overcoming Tumor Drug Resistance with C2-Modified 10-Deacetyl-7-propionyl Cephalomannines: A QSAR Study
    Corwin H. Hansch, Rajeshwar P. Verma · 2009 · Molecular Pharmaceutics
  15. Subcellular Pharmacokinetics and Drug Properties: Numerical Simulations in Multicompartment Systems
    Štefan Baláž · 1994 · Quantitative Structure-Activity Relationships
  16. Overview of QSAR Modelling in Rational Drug Design
    2012 · BENTHAM SCIENCE PUBLISHERS eBooks
  17. Evaluation of the artificial membrane permeability of drugs by digital simulation
    Mayumi Nakamura, Toshiyuki Osakai · 2016 · European Journal of Pharmaceutical Sciences
  18. Virtual Screening for the Discovery of Active Principles from Natural Products
    Benjamin Kirchweger, Judith Maria Rollinger · 2018 · Springer eBooks
  19. 50 Years European Federation for Medicinal Chemistry (EFMC) – The Ascent of Medicinal Chemistry in Europe
    Edmond Differding · 2020 · ChemMedChem
  20. QSAR Methods
    Giuseppina C. Gini · 2016 · Methods in molecular biology
  21. Adverse Effect Predictions Based on Computational Toxicology Techniques and Large-scale Databases
    Yoshihiro Uesawa · 2018 · YAKUGAKU ZASSHI
  22. Synthesis, Structure, and In Vitro and In Vivo Insulinomimetic Activities of the Zinc(II)–6-Ethylpicolinate Complex
    Yoshitane Kojima, Yutaka Yoshikawa, Eriko Ueda, Noriko Kishimoto, Makoto Tadokoro, Hiromu Sakurai · 2005 · Bulletin of the Chemical Society of Japan
  23. Support vector machines in the prediction of mutagenicity of chemical compounds
    Thomas Ferrari, Giuseppina C. Gini, Emilio Benfenati · 2009 · Annual Meeting of the North American Fuzzy Information Processing Society (NAFIPS)
  24. Continuum and discrete calculation of fractional contributions to solvation free energy
    Antonio Morreale, Josep Lluis Gelpí, Francisco Javier Luque, Modesto Orozco · 2003 · Journal of Computational Chemistry
  25. Cytotoxicity of Heterocyclic Compounds against Various Cancer Cells: A Quantitative Structure–Activity Relationship Study
    Rajeshwar P. Verma · 2007 · Springer eBooks
  26. Biological Activity of the Terpenoids and Their Derivatives — Recent Advances
    M. Martin‐Smith, W. E. Sneader · 1969 · Birkhäuser Basel eBooks
  27. Application of the hammett equation for sorption of aromatic compounds on polymeric sorbents
    Maria Wojaczyńska, Bożena N. Kolarz, Krystyna Rupicz · 1984 · Reactive Polymers Ion Exchangers Sorbents
  28. 2D and 3D lipophilicity parameters in QSAR
    J. P. Dubost · 1993 · Springer eBooks
  29. Mold2Molecular Descriptors for QSAR
    Huixiao Hong, Svetoslav H. Slavov, Weigong Ge, Feng Qian, Zhenqiang Su, Hong Fang, Yiyu Cheng, Roger Perkins, Leming M. Shi, Weida Tong · 2012 · Wiley eBooks
  30. Physico-chemical characteristics and quantitative structure-activity relationships of PCBs
    Patrik L. Andersson · 2000 · KTH Publication Database DiVA (KTH Royal Institute of Technology)
  31. Transformer Neural Network for Structure Constrained Molecular Optimization
    Jiazhen He, Felix Mattsson, Marcus Forsberg, Esben Jannik Bjerrum, Ola Engkvist, Eva Nittinger, Christian Tyrchan, Werngard Czechtizky · 2021 · ChemRxiv
  32. Taking model pursuit seriously
    HyeJeong Han · 2023 · European Journal for Philosophy of Science
  33. Beyond QSARs: Quantitative Knowledge–Activity Relationships (QKARs) for enhanced drug toxicity prediction
    Ting Li, Yanyan Qu, Alexander Chen, Shraddha Thakkar, Dongying Li, Weida Tong · 2025 · Toxicological Sciences
  34. pKa prediction for small molecules: an overview of experimental, quantum, and machine learning-based approaches
    Juda Baikété, Alhadji Malloum, Jeanet Conradie · 2025 · Journal of Computer-Aided Molecular Design
  35. Structure–activity relationships can be directly extracted from high-throughput crystallographic evaluation of fragment elaborations in crude reaction mixtures
    Harold Grosjean, Kate K. Fieseler, Ruben Sanchez-Garcia, Warren Athol Thompson, Charlotte Mary Deane, F. von Delft, Philip Charles Biggin · 2025 · Chemical Science
  36. Implementation of machine learning protocols to predict the hydrolysis reaction properties of organophosphorus substrates using descriptors of electron density topology
    Vlada V. Petrova, Anton V. Domnin, Yuri B. Porozov, Pavel O. Kuliaev, Yaroslav V. Solovev · 2023 · Journal of Computational Chemistry
  37. Uncovering and tackling fundamental limitations of compound potency predictions using machine learning models
    Tiago Janela, Jürgen Bajorath · 2024 · Cell Reports Physical Science
  38. Assessment of methods for predicting physical and chemical properties of organic compounds
    Tunga Salthammer · 2024 · Indoor Environments
  39. QSAR and the Prediction of T-Cell Epitopes
    Irini Atanas Doytchinova, Darren R. Flower · 2008 · Current Proteomics
  40. Measuring the force of sound
    Pedro Cintas, Giancarlo Cravotto · 2012 · Nature Chemistry
  41. Neglected Disease – African Sleeping Sickness: Recent Synthetic and Modeling Advances
    Sarvesh Paliwal · 2011 · Scientia Pharmaceutica
  42. Interactions of Indole Derivatives with β-Cyclodextrin: A Quantitative Structure-Property Relationship Study
    Milan Šoškić, Ivana Porobić · 2016 · PLoS ONE
  43. Cheminformatics Approaches to Study Drug Polypharmacology
    J. Jesús Naveja, Fernanda I. Saldívar‐González, Norberto Sánchez‐Cruz, José L. Medina‐Franco · 2018 · Methods in pharmacology and toxicology
  44. QSAR/QSPR Revisited
    Alexander Golbraikh, Alexander Tropsha · 2018 · Wiley-VCH eBooks
  45. In Silico Methods to Predict Relevant Toxicological Endpoints of Bioactive Substances
    Guilherme Martins Silva, Leonardo Bruno Federico, Vinícius M. Alves, Carlos Henrique Tomich de Paula da Silva · 2021 · Engineering materials
  46. Computer-Aided Drug Design and Development: An Integrated Approach
    Neelima Dhingra · 2022 · IntechOpen eBooks
  47. Estimating the hydrophobicity extent of molecular fragments using reversed‐phase liquid chromatography
    Andrea Carotti, Ina Varfaj, Ilaria Pruscini, Ghaid W. A. Abualzulof, Laura Mercolini, Elisa Bianconi, Antonio Macchiarulo, Emidio Camaioni, Roccaldo Sardella · 2023 · Journal of Separation Science
  48. Exploring the relationships between physiochemical properties of nanoparticles and cell damage to combat cancer growth using simple periodic table-based descriptors
    Joyita Roy, Kunal Roy · 2024 · Beilstein Journal of Nanotechnology
  49. Artificial Neural Network Modeling of the Environmental Fate and Ecotoxicity of Chemicals
    James Devillers · 2009 · Emerging topics in ecotoxicology
  50. Doors of deception—The diaspora of designer drugs
    James F. Kerwin · 2011 · Drug Testing and Analysis
  51. Physicochemical Profiling in Drug Research and Development
    Krisztina Takács‐Novák · 2012 · IAPC Publishing eBooks
  52. QSAR Modeling of Dye Ecotoxicity
    Simona Funar‐Timofei, Gheorghe Ilia · 2020 · Methods in pharmacology and toxicology
  53. Quantitative Structure-Activity Relationship (QSAR) Studies for the Inhibition of MAOs
    Muthusamy Ramesh, Arunachalam Muthuraman · 2020 · Combinatorial Chemistry & High Throughput Screening
  54. Computer Aided Drug Design
    Bhupinder Kumar, Pooja A. Chawla, Viney Chawla · 2022 · Springer eBooks
  55. Empirical and Physics-Based Calculations of Physical–Chemical Properties
    Ekaterina L. Ratkova, Yuriy A. Abramov, Igor I. Baskin, David J. Livingstone, Maxim V. Fedorov, Michael Withnall, Igor V. Tetko · 2017 · Elsevier eBooks
  56. Preliminary modelling as the first stage of targeted organic synthesis
    Ilya Yu. Titov, Viktor S. Stroylov, Polina V. Rusina, Igor V. Svitanko · 2021 · Russian Chemical Reviews
  57. In silico modelling of acute toxicity of 1, 2, 4-triazole antifungal agents towards zebrafish (Danio rerio) embryos: Application of the Small Dataset Modeller tool
    Aniket Nath, Priyanka De, Kunal Roy · 2021 · Toxicology in Vitro
  58. Machine Learning Applied to the Modeling of Pharmacological and ADMET Endpoints
    Andreas H. Göller, Lara Kuhnke, Antonius ter Laak, Katharina Meier, Alexander Hillisch · 2021 · Methods in molecular biology
  59. In Silico Tools for Drug Absorption Prediction
    Pankaj V. Paranjpe, George M. Grass, Patrick J. Sinko · 2003 · American Journal of Drug Delivery
  60. Biologie testing of leachable aromatic compounds from denture base materials
    Henning Lygre, Grete Moe, Einar Solheim, Nils Roar Gjerdet · 1995 · Acta Odontologica Scandinavica
  61. “In vitro” fibrinolytic activity of a new low molecular weight heparan sulfate
    Gian Battista Gervasi, Claudio Farina, Roberta Catalani, C. Bartoli, M Baldacci · 1990 · Thrombosis Research
  62. QSAR in environmental sciences and drug design
    Joop L. M. Hermens · 1991 · The Science of The Total Environment
  63. THE USE OF SUBSTITUENT CONSTANTS IN STRUCTURE-ACTIVITY STUDIES
    Corwin H. Hansch · 1968 · Elsevier eBooks
  64. Introduction
    H. Van De Waterbeemd · 1995 · Methods and principles in medicinal chemistry
  65. Drug Design with Artificial Neural Networks
    Ovidiu Ivanciuc · 2009 · Springer eBooks
  66. MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug–Enzyme Interactions
    Riccardo Concu, M. Natália D. S. Cordeiro, Martín Pérez‐Pérez, Florentino Fdez‐Riverola · 2022 · Molecules
  67. QSPRmodeler - An open source application for molecular predictive analytics
    Rafał Adam Bachorz, Damian Nowak, Marcin Ratajewski · 2024 · Frontiers in Bioinformatics
  68. Development of a Medication-Related Osteonecrosis of the Jaw Prediction Model Using the FDA Adverse Event Reporting System Database and Machine Learning
    Shinya Toriumi, Komei Shimokawa, Munehiro Yamamoto, Yoshihiro Uesawa · 2025 · Pharmaceuticals
  69. Learning from data with complex interactions and ambiguous labels
    Soumya Ray, Mark W. Craven, David Page · 2005
  70. QSAR study for transdermal delivery of drugs and chemicals
    Satoru Goto · 2014 · Elsevier eBooks
  71. Computational methods and tools for sustainable and green approaches in drug discovery
    Arindam Chatterjee · 2020 · Elsevier eBooks
  72. The “ETA” Indices in QSAR/QSPR/QSTR Research
    Kunal Roy, Rudra Narayan Das · 2015 · Advances in chemical and materials engineering book series
  73. Machine Learning and Computational Chemistry for the Endocannabinoid System
    Kenneth Atz, Wolfgang Guba, Uwe Grether, Gisbert Schneider · 2022 · Methods in molecular biology
  74. Insights into the quantitative structure–activity relationship for ionic liquids: a bibliometric mapping analysis
    Rui Huang, Hui Liu, Ze Fei Wei, Yi Jiang, Kai Pan, Xin Wang, Jie Kong · 2023 · Environmental Science and Pollution Research
  75. QSAR models for predicting cardiac toxicity of drugs
    Igor Henrique Sanches, Sabrina Silva Mendonça, Vinícius M. Alves, Rodolpho C. Braga, Carolina Horta Andrade · 2023 · Elsevier eBooks
  76. Advances of the QSAR approach as an alternative strategy in the environmental risk assessment
    Laura M. Saavedra, Juan C. Garro Martínez, Pablo R. Duchowicz · 2023 · Elsevier eBooks
  77. Machine Learning in Drug Design
    Ola Engkvist, Lewis Mervin, Hongming Chen, Ting Ran · 2023 · Royal Society of Chemistry eBooks
  78. “In vitro” metabolism of Bezafibrate by rat liver
    Facino R. Maffei, M. Carini, Raffaele Bertuletti, Odoardo Tofanetti · 1981 · Pharmacological Research Communications
  79. Nonlinear Modeling of the Percutaneous Absorption of Polycyclic Aromatic Hydrocarbons
    James Devillers · 2000 · Polycyclic aromatic compounds
  80. Structural and Physicochemical Interpretation of GT-STAF Information Theory-Based Indices
    Stephen J. Barigye, Yovani Marrero‐Ponce, Jure Zupan, Facundo Pérez‐Giménez, Matheus P. Freitas · 2014 · Bulletin of the Chemical Society of Japan
  81. Advanced Screening to Identify Novel Pesticides
    Yoshiaki Nakagawa, Toshiyuki Harada · 2012 · Springer eBooks
  82. Use of Planar Chromatography in Pesticide Residue Analysis
    Tomasz Tuzimski · 2009 · CRC Press eBooks
  83. Ensemble-Based Methodology for the Prediction of Drug-Target Interactions
    Edgar D. Coelho, Joel Perdiz Arrais, José Luís Oliveira · 2016 · Proceedings - IEEE Symposium on Computer-Based Medical Systems
  84. Skin‐mimetic chromatography for prediction of human percutaneous absorption of biologically active compounds occurring in medicinal plant extracts
    Katarzyna E. Stępnik, Irena Malinowska · 2016 · Biomedical Chromatography
  85. Erhitzungsbedingte Kontaminanten in Lebensmitteln
    Susanne Andres, Katharina Schultrich, Bernhard Hans Monien, Thorsten Buhrke, Nadiya Bakhiya, Falko Frenzel, Klaus Abraham, Bernd Schäfer, Alfonso Lampen · 2017 · Bundesgesundheitsblatt - Gesundheitsforschung - Gesundheitsschutz
  86. Using correlation based adaptive LASSO algorithm to develop QSPR of antitumour agents for DNA–drug binding prediction
    Shounak Datta, Vikrant A. Dev, Mario R. Eden · 2018 · Computers & Chemical Engineering
  87. Multivariate analysis of physico-chemical, bioactive, microbial and spectral data characterisation of Algerian honey
    Fatima Zohra Issaad, Khalid Bouhedjar, Assia Ikhlef, Hatem Lachlah, Djihene Hadj Smain, Khawla Boutaghane, Chawki Bensouıcı · 2021 · Journal of Food Measurement & Characterization
  88. An Introduction to the Basic Concepts in QSAR-Aided Drug Design
    Maryam Hamzeh‐Mivehroud, Babak Sokouti, Siavoush Dastmalchi · 2015 · Advances in chemical and materials engineering book series
  89. A Structure-Activity Relationship in the Binding of Multicharged Anionic Azo and Pyrene Dyes to Serum Albumin
    Kiyofumi Murakami, Miki Akamatsu, Takayuki Sano · 1994 · Bulletin of the Chemical Society of Japan
  90. Application of Non-Parametric Regression to Quantitative Structure–Activity Relationships
    Jonathan D. Hirst, T. John McNeany, Trevor J. Howe, Lewis Whitehead · 2002 · Bioorganic & Medicinal Chemistry
  91. In Silico Drug Discovery and Design
    Markus A. Lill · 2013
  92. A Strategy for in Silico Prediction of the Membrane Permeability of Drugs
    Yu Fujii, Erina Yoshida, Toshiyuki Osakai · 2018 · Bulletin of the Chemical Society of Japan
  93. Medicinal Chemistry Inspired Fragment-Based Drug Discovery
    James C. Lanter, Xuqing Zhang, Zhihua Sui · 2011 · Methods in enzymology on CD-ROM/Methods in enzymology
  94. Conotoxin therapeutics: a pipeline for success?
    Marianne A. Grant, Kumaran Shanmugasundaram, Alan C. Rigby · 2007 · Expert Opinion on Drug Discovery
  95. A Combined Use of Quantum Chemical Parameters Hydrophobic and Geometrical Descriptors to Establish QSARs of Allylamine Antimycotics
    Peter Hecht, Hermann Vyplel, Peter Nußbaumer, Heinz Berner · 1992 · Quantitative Structure-Activity Relationships
  96. Advanced Statistical Techniques
    Jonathan Malpass, David William Salt, Martyn Glenn Ford, Edward Watcyn Wynn, David J. Livingstone, Jean‐Christophe Doré, Tiiu Ojasoo, Valerie S. Rose, John Wood, H.J.H. MacFie et al. · 1994 · Methods and principles in medicinal chemistry
  97. Some Methods of Obtaining Quantitative Structure-Activity Relationships for Quantities of Environmental Interest
    Marvin Charton · 1985 · Environmental Health Perspectives
  98. Lead optimization: quantitative structure-activity relations
    Arie Verloop · 1981 · Philosophical transactions of the Royal Society of London. Series B, Biological sciences
  99. Evolving Drug Design Methodology: from QSAR to AIDD
    Jun Xu · 2022 · ChemRxiv
  100. On the Understanding of Drug Potency
    James W. McFarland · 1971 · Birkhäuser Basel eBooks