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There are 12285 results for: content related to: On further application of r   m 2 as a metric for validation of QSAR models

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    Molecular Descriptors for Chemoinformatics: Volume I: Alphabetical Listing / Volume II: Appendices, References, Volume 41

    Roberto Todeschini, Viviana Consonni, Pages: 1–241, 2010

    Published Online : 12 FEB 2010, DOI: 10.1002/9783527628766.biblio

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    Handbook of Molecular Descriptors

    Roberto Todeschini, Viviana Consonni, Pages: 524–667, 2008

    Published Online : 4 MAR 2008, DOI: 10.1002/9783527613106.biblio

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    Applicability of QSAR analysis to the evaluation of the toxicological relevance of metabolites and degradates of pesticide active substances for dietary risk assessment

    EFSA Supporting Publications

    Volume 7, Issue 5, May 2010, European Commission Joint Research Centre, Institute for Health & Consumer Protection, Ispra, Italy

    Version of Record online : 7 MAY 2010, DOI: 10.2903/sp.efsa.2010.EN-50

  4. History of Quantitative Structure–Activity Relationships

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    Burger's Medicinal Chemistry and Drug Discovery

    Cynthia Selassie and Rajeshwar P. Verma

    Published Online : 15 APR 2010, DOI: 10.1002/0471266949.bmc001.pub2

  5. Developing Best Practices for Descriptor-Based Property Prediction: Appropriate Matching of Datasets, Descriptors, Methods, and Expectations

    Statistical Modelling of Molecular Descriptors in QSAR/QSPR, Volume 2

    Michael Krein, Tao-Wei Huang, Lisa Morkowchuk, Dimitris K. Agrafiotis, Curt M. Breneman, Pages: 33–64, 2012

    Published Online : 9 MAR 2012, DOI: 10.1002/9783527645121.ch2

  6. Recent Advances in Development, Validation, and Exploitation of QSAR Models

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    Burger's Medicinal Chemistry and Drug Discovery

    Alexander Tropsha

    Published Online : 15 SEP 2010, DOI: 10.1002/0471266949.bmc002.pub2

  7. QSAR of Carbonic Anhydrase Inhibitors and Their Impact on Drug Design

    Drug Design of Zinc-Enzyme Inhibitors: Functional, Structural, and Disease Applications

    Adriano Martinelli, Tiziano Tuccinardi, Pages: 375–397, 2009

    Published Online : 4 NOV 2009, DOI: 10.1002/9780470508169.ch18

  8. Novel algorithm to select basis functions in spline regression: applications in quantitative structure–activity relationship studies

    Journal of Chemometrics

    Volume 26, Issue 3-4, March-April 2012, Pages: 85–94, Jyotsna Bahl, Narayanan Ramamurthi and Sitarama B. Gunturi

    Version of Record online : 20 MAR 2012, DOI: 10.1002/cem.2415

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    Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicology

    Environmental Toxicology and Chemistry

    Volume 22, Issue 8, August 2003, Pages: 1666–1679, Roger Perkins, Hong Fang, Weida Tong and William J. Welsh

    Version of Record online : 6 NOV 2009, DOI: 10.1897/01-171

  10. Quantitative Structure–Activity Relationship (QSAR) Methods for the Prediction of Substrates, Inhibitors, and Inducers of Metabolic Enzymes

    Drug Metabolism Prediction

    Oraphan Phuangsawai, Supa Hannongbua, Mathew Paul Gleeson, Pages: 319–350, 2014

    Published Online : 11 AUG 2014, DOI: 10.1002/9783527673261.ch13

  11. Partial-Order Ranking and Linear Modeling: Their Use in Predictive QSAR/QSPR Studies

    Statistical Modelling of Molecular Descriptors in QSAR/QSPR, Volume 2

    Andrew G. Mercader, Eduardo A. Castro, Pages: 149–174, 2012

    Published Online : 9 MAR 2012, DOI: 10.1002/9783527645121.ch5

  12. Search for new antagonist ligands for adenosine receptors from QSAR point of view. How close are we?

    Medicinal Research Reviews

    Volume 28, Issue 3, May 2008, Pages: 329–371, Maykel Pérez González, Carmen Terán and Marta Teijeira

    Version of Record online : 31 JUL 2007, DOI: 10.1002/med.20108

  13. Hansch analysis 50 years on

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 2, Issue 3, May/June 2012, Pages: 435–442, Yvonne Connolly Martin

    Version of Record online : 18 APR 2012, DOI: 10.1002/wcms.1096

  14. QSTR with Extended Topochemical Atom Indices. 10. Modeling of Toxicity of Organic Chemicals to Humans Using Different Chemometric Tools

    Chemical Biology & Drug Design

    Volume 72, Issue 5, November 2008, Pages: 383–394, Kunal Roy and Gopinath Ghosh

    Version of Record online : 16 OCT 2008, DOI: 10.1111/j.1747-0285.2008.00712.x

  15. Quantitative Structure–Activity Relationships and Computational Methods in Drug Discovery

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    Encyclopedia of Analytical Chemistry

    Alexandru T. Balaban

    Published Online : 13 JUN 2008, DOI: 10.1002/9780470027318.a1918.pub2

  16. Taxane Analogues against Lung Cancer: A Quantitative Structure–Activity Relationship Study

    Chemical Biology & Drug Design

    Volume 73, Issue 6, June 2009, Pages: 627–636, Rajeshwar P. Verma and Corwin Hansch

    Version of Record online : 12 MAY 2009, DOI: 10.1111/j.1747-0285.2009.00816.x

  17. Quantitative Structure–Activity Relationship Studies on 2-Amino-6-arylsulfonylbenzonitriles as Human Immunodeficiency Viruses Type 1 Reverse Transcriptase Inhibitors Using Descriptors Obtained from Substituents and Whole Molecular Structures

    Chemical Biology & Drug Design

    Volume 74, Issue 4, October 2009, Pages: 405–415, Bahram Hemmateenejad, Razieh Sabet and Afshin Fassihi

    Version of Record online : 19 AUG 2009, DOI: 10.1111/j.1747-0285.2009.00871.x

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    QSAR Models for Toxicity of Organic Substances to Daphnia magna Built up by Using the CORAL Freeware

    Chemical Biology & Drug Design

    Volume 79, Issue 3, March 2012, Pages: 332–338, Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati and Giuseppina Gini

    Version of Record online : 11 JAN 2012, DOI: 10.1111/j.1747-0285.2011.01279.x

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    Overview of data and conceptual approaches for derivation of quantitative structure-activity relationships for ecotoxicological effects of organic chemicals

    Environmental Toxicology and Chemistry

    Volume 22, Issue 8, August 2003, Pages: 1789–1798, Steven P. Bradbury, Christine L. Russom, Gerald T. Ankley, T. Wayne Schultz and John D. Walker

    Version of Record online : 6 NOV 2009, DOI: 10.1897/01-234

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    Structural Findings of 2-Phenylindole-3-Carbaldehyde Derivatives for Antimitotic Activity by FA-sMLR QSAR Analysis

    Chemical Biology & Drug Design

    Volume 75, Issue 2, February 2010, Pages: 204–213, Amit K. Halder, Nilanjan Adhikari and Tarun Jha

    Version of Record online : 17 DEC 2009, DOI: 10.1111/j.1747-0285.2009.00927.x