Quantitative structure-activity relationships and the unnamed science

Hansch, Corwin·1993·Accounts of Chemical Research
DOI 10.1021/ar00028a003

Cited by (173)

Items 101–173 of 173

  1. Quantitative structure–activity relationships (QSAR) for 9-anilinoacridines: a comparative analysis
    Hua Gao, William Alexander Denny, Rajni Garg, Corwin H. Hansch · 1998 · Chemico-Biological Interactions
  2. Effects of Nonionic Micelles on Dephosphorylation and Aromatic Nucleophilic Substitution
    Houshang J. Foroudian, Nicholas D. Gillitt, Clifford A. Bunton · 2002 · Journal of Colloid and Interface Science
  3. Lipophilicity: A History
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  5. Der Schlüssel zum Schloß II. Hansch‐Analyse, 3D‐QSAR undDe novo‐Design
    Hugo Kubinyi · 1994 · Pharmazie in unserer Zeit
  6. Comparative QSAR: Radical Toxicity and Scavenging. Two Different Sides of the Same Coin
    Corwin H. Hansch, L. Zhang · 1995 · SAR and QSAR in environmental research
  7. Fundamental And Guiding Principles For (Q)SAR Analysis Of Chemical Carcinogens with Mechanistic Considerations
    OECD · 2017 · OECD series on testing and assessment
  8. Using theoretical descriptors in quantitative structure-activity relationships: HPLC capacity factors for energetic materials
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  9. Chemoinformatics and Library Design
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  10. Quantitative Structure-Activity/Property/Toxicity Relationships through Conceptual Density Functional Theory-Based Reactivity Descriptors
    Sudip Pan, Ashutosh Kumar Gupta, V. Subramanian, Pratim Kumar Chattaraj · 2016 · IGI Global eBooks
  11. MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities
    Traian I. Sulea, Ludovic Kurunczi, Tudor Ionel Oprea, Zeno Simon · 1998 · Journal of Computer-Aided Molecular Design
  12. Reassessment of Hammett σ as an effective parameter representing intermolecular interaction energy—links between traditional and modern QSAR approaches
    Tatsusada Yoshida, Miho Shimizu, Masataka Harada, Seiji Hitaoka, Hiroshi Chuman · 2011 · Bioorganic & Medicinal Chemistry Letters
  13. Molecular dynamics simulations exploring drug resistance in HIV-1 proteases
    Hui Gu, Haifeng Chen, Dong‐Qing Wei, Jingfang Wang · 2010 · Chinese Science Bulletin
  14. Biological Surface Adsorption Index of Nanomaterials: Modelling Surface Interactions of Nanomaterials with Biomolecules
    Ran Chen, Jim Edmond Riviere · 2017 · Advances in experimental medicine and biology
  15. Quantiative structure-activity relationship (QSAR) studies in genetic toxicology: mathematical models and the “biological activity” term of the relationship
    Romualdo Benigni, Alessandro Giuliani · 1994 · Mutation research. Fundamental and molecular mechanisms of mutagenesis
  16. A novel computational approach to the estimation of steric parameters application to the Menschutkin reaction
    Harry Donald Brooke Jenkins, Elizabeth J Kelly, Christopher J. Samuel · 1994 · Tetrahedron Letters
  17. In Silico Analysis of Contaminant Persistence: From QSARs to Machine Learning Models
    Huichun Judy Zhang, Paul G. Tratnyek · 2026 · Environmental Science & Technology
  18. Using comparative ecotoxicology to develop quantitative species sensitivity relationships (QSSR)
    Jos Notenboom, Manon A. Vaal, Janneke A. Hoekstra · 1995 · Environmental Science and Pollution Research
  19. Quantitative Approaches to Solute-Solvent Interactions
    Peter Politzer, Jane S. Murray · 2007 · Springer eBooks
  20. QUANTITATIVE APPROACHES TO STRUCTURE–ACTIVITY RELATIONSHIPS
    H. Van De Waterbeemd, Sally Rose · 2003 · Elsevier eBooks
  21. Quantum Mechanical Calculations in Medicinal Chemistry: Relevant Method or a Quantum Leap Too Far?
    Andria Anna Alex · 2007 · Elsevier eBooks
  22. Rapidly Measuring Reactivities of Carboxylic Acids to Generate Equireactive Building Block Mixtures: A Spectrometric Assay
    Kendra L. Dombi, Ulrich E. Steiner, Clemens Richert · 2003 · Journal of Combinatorial Chemistry
  23. Accomplishments and challenges in integrating software for computer-aided ligand design in drug discovery
    Yvonne Connolly Martin · 1995 · Perspectives in Drug Discovery and Design
  24. SARs and QSARs of Mutagens and Carcinogens
    Romualdo Benigni · 2003 · CRC Press eBooks
  25. Introduction
    H. Van De Waterbeemd · 1995 · Methods and principles in medicinal chemistry
  26. 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
  27. G-Networks to Predict the Outcome of Sensing of Toxicity
    Ingrid Grenet, Yonghua Yin, Jean‐Paul Comet · 2018 · Sensors
  28. Computer-aided prediction of receptor profile for drug-like compounds
    Yu. V. Borodina, Dmitry A. Filimonov, Vladimir Poroikov · 2002 · SAR and QSAR in environmental research
  29. A comprehensive approach to database management of quantitative structure-activity relationships (QSAR) in chemistry and biology
    Hoekman, Leo Leo, Peng Li, Litai Zhang, Hansch · 1994 · Hawaii International Conference on System Sciences (HICSS)
  30. Modelling steric effects in DNA-binding platinum(II)-am(m)ine complexes
    Elizabeth Yuriey, John D. Orbell · 1996 · Journal of Computer-Aided Molecular Design
  31. Eleven Ways to Use Host-Guest Chemistry in Liquid-Liquid Separations: A Tool Box for Understanding and Applications
    Bruce A. Moyer · 2025 · Solvent Extraction and Ion Exchange
  32. Quantitative Structure-Activity/Property/Toxicity Relationships through Conceptual Density Functional Theory-Based Reactivity Descriptors
    Sudip Pan, Ashutosh Kumar Gupta, V. Subramanian, Pratim Kumar Chattaraj · 2015 · Advances in chemical and materials engineering book series
  33. From Hansch‐Fujita Analysis to AFMoC: A Road to Structure‐Based QSAR
    Christoph G. W. Gertzen, Holger Gohlke · 2012 · Molecular Informatics
  34. Kinetic Characterization Of A Fungal Peroxidase FromCoprinus CinereusIn Aqueous And Organic Media
    Keungarp Ryu, James P. McEldoon, Jonathan S. Dordick · 1995 · Biocatalysis and Biotransformation
  35. Calculation of intramolecular force fields from second-derivative tensors
    Jorge M. Seminario · 1996 · International Journal of Quantum Chemistry
  36. SARs and QSARs of Mutagens and Carcinogens: Understanding Action Mechanisms and Improving Risk Assessment
    Romualdo Benigni · 2003 · CRC Press eBooks
  37. A novel computational approach to the estimation of steric parameters II. Extension to thiazoles
    Harry Donald Brooke Jenkins, Christopher J. Samuel, Jonathan Stafford · 1995 · Tetrahedron Letters
  38. The relevance of calorimetry to physical organic chemistry
    Edward McC. Arnett · 1999 · The Journal of Chemical Thermodynamics
  39. Berechnung thermodynamischer Eigenschaften von polycyclischen aromatischen Kohlenwasserstoffen mit einem Inkrementverfahren
    Karen Nass, Dieter Lenoir, A. Kettrup · 1995 · Angewandte Chemie
  40. The influences of the structure and activity of biologically active compounds on the assessment of inventive step
    Joachim A. Stellmach · 2009 · World Patent Information
  41. Glossar zur Theoretischen Organischen Chemie
    Hendrik Zipse, Axel Schulz · 2003 · Angewandte Chemie
  42. Citation histories of related papers in the field of chemical correlation analysis
    Otto Exner, Milan Kunz · 1995 · Scientometrics
  43. Molecular modelling
    David F. V. Lewis · 1997 · Springer eBooks
  44. Application of Molecular Modeling Techniques to Investigate Phytochemicals as Prospective Anti-Malarial Agents
    Raghunath Satpathy · 2024 · Advances in healthcare information systems and administration book series
  45. A thermodynamic QSAR analysis of the polystrate monooxygenase responses to xenobiotic chemicals
    Bryan R. Hollebone, Lorna J. Brownlee · 1995 · Toxicology Letters
  46. Molecular Modeling in Drug Design
    Garland R. Marshall, Denise D. Beusen · 2003 · Burger's Medicinal Chemistry and Drug Discovery
  47. Structural Insights into the Redox Potential of Curcumin Derivatives in Litopenaeus vannamei
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  48. Predictive modeling approaches for the risk assessment of persistent organic pollutants (POPs): from QSAR to machine learning–based models
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  49. Relationship between the Hydrophobicity of Dipeptides and the Michaelis–Menten Constant Km of Their Hydrolysis by Carboxypeptidase-Y and Carboxypeptidase-A
    Yoshifumi Kanosue, Satoshi Kojima, Yoshikazu Hiraga, Katsuo Ohkata · 2004 · Bulletin of the Chemical Society of Japan
  50. Prediction of Persistence
    Monika Nendza · 2004 · CRC Press eBooks
  51. Prediction of Solubility
    Yi-Sheng Chen, Xiaohong Qi, Rong Liu · 2018
  52. QSAR by Minimal Topological Difference[s]: Post-Modern Perspectives
    Corina Duda-Seiman, Daniel Duda-Seiman, Dan Ciubotariu, Mihai V. Putz · 2019 · Current Medicinal Chemistry
  53. Comparison of computational and thin-layer chromatographic methods for prediction of biological properties of organic compounds
    Marek Studziński, Irena Malinowska · 2023 · Journal of Planar Chromatography – Modern TLC
  54. Structure-Based Robust Fractal Graph Neural Network with Molecular Fingerprint BERT for Molecular Property Prediction
    Yaguo Dong, Meiling Xu, Lixin Tang · 2025 · IEEE Transactions on Emerging Topics in Computational Intelligence
  55. Characterization of macrocyclic host-guest systems by liquid-liquid extraction
    Kazuharu Yoshizuka, Manja Kubeil, Holger Stephan · 2026 · Journal of Inclusion Phenomena and Macrocyclic Chemistry
  56. A Carcinogen-Screening Test Based on Electrons
    George Bakale · 1994 · NATO ASI series. Series B : Physics
  57. Prediction of Solubility
    Yi-Sheng Chen, Xiaohong Qi, Rong Liu · 2008 · CRC Press eBooks
  58. Predicting pharmacokinetic properties of potential anti-cancer agents using micellar thin-layer chromatography
    Małgorzata Janicka, Anna Śliwińska, Małgorzata Sztanke, Krzysztof Sztanke · 2022 · Journal of Planar Chromatography – Modern TLC
  59. References
    2010 · Wiley eBooks
  60. Pyrimidinylsalicylic Based Herbicides: Modeling and Prediction
    José Eduardo · 2011 · InTech eBooks
  61. Estudo da relação quantitativa entre a estrutura química e a atividade antimicrobiana de cloretos de N,N[(dimetilamino)etil] benzoatos para e meta substituídos avaliada contra Saccharomyces cerevisiae (BY4741) e Escherichia coli (DH5α)
    Elba Vieira Mustafa dos Santos · 2009 · Digital Library of Theses and Dissertations (Universidade de São Paulo)
  62. Novas quinazolinas 2,4,8-dissubstituídas com potencial atividade de inibição da quinase de adesão focal (FAK)
    João Eustáquio Antunes · 2013
  63. In Silico Application of Quantum Chemical Methods for Relating Toxicity to Chemical Reactivity
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  64. Electrophoretic Approaches for Log P Determination of Small Molecules and Polymers
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  65. Estudos QSAR e Ancoragem Molecular de Inibidores da Atividade Biológica do Fator de Inibição da Migração dos Macrófagos (MIF)
    Alex Gutterres Taranto, André Lacerda Braga Teles, Jocley Queiroz Araújo, Beatriz Alves Ferreira, Moacyr Comar · 2012 · DOAJ (DOAJ: Directory of Open Access Journals)
  66. Bibliography
    2000 · Methods and principles in medicinal chemistry
  67. Bibliography
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  68. References
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  69. Over-Pressured Layer Chromatography and QSARs in predicting pharmacokinetics and toxicity of new herbicide candidates
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  70. FraHNN: A Fragment-Based Hypergraph Neural Network Model for Molecular Property Prediction
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  71. Why Static SAR Fails for Antimicrobial Peptides From an Ensemble and Free‐Energy Landscape Perspective?
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  72. Evaluation of the use of public toxicological data for chemical hazard prediction through computational methods
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  73. BindingDB Entry 50037166: Computer-aided selection of potential antihypertensive compounds with dual mechanism of action.
    BindingDB · 2012 · UC San Diego