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Paola Gramatica

1982–2025 年に発表

87
論文数
18,746
被引用数
52
h 指数
85
i10 指数

被引用数

Paola Gramatica の年別被引用数1983 年: 被引用 1 件1988 年: 被引用 2 件1990 年: 被引用 1 件1992 年: 被引用 3 件1995 年: 被引用 1 件1996 年: 被引用 3 件1997 年: 被引用 29 件1998 年: 被引用 15 件1999 年: 被引用 27 件2000 年: 被引用 19 件2001 年: 被引用 28 件2002 年: 被引用 21 件2003 年: 被引用 76 件2004 年: 被引用 88 件2005 年: 被引用 71 件2006 年: 被引用 125 件2007 年: 被引用 139 件2008 年: 被引用 212 件2009 年: 被引用 280 件2010 年: 被引用 248 件2011 年: 被引用 200 件2012 年: 被引用 250 件2013 年: 被引用 243 件2014 年: 被引用 307 件2015 年: 被引用 288 件2016 年: 被引用 317 件2017 年: 被引用 289 件2018 年: 被引用 341 件2019 年: 被引用 517 件2020 年: 被引用 652 件2021 年: 被引用 556 件2022 年: 被引用 493 件2023 年: 被引用 372 件2024 年: 被引用 493 件2025 年: 被引用 274 件2026 年: 被引用 59 件1984〜1987 年は被引用が無いため表示していません1989 年は被引用が無いため表示していません1991 年は被引用が無いため表示していません1993〜1994 年は被引用が無いため表示していません

引用元

国・地域

この著者を引用した国・地域の世界地図アメリカ合衆国: 引用元論文 871 件、この内訳の 14.2%中国: 引用元論文 662 件、この内訳の 10.8%インド: 引用元論文 483 件、この内訳の 7.9%イタリア: 引用元論文 374 件、この内訳の 6.1%イギリス: 引用元論文 356 件、この内訳の 5.8%ドイツ: 引用元論文 249 件、この内訳の 4%イラン: 引用元論文 177 件、この内訳の 2.9%フランス: 引用元論文 169 件、この内訳の 2.7%スペイン: 引用元論文 158 件、この内訳の 2.6%ブラジル: 引用元論文 134 件、この内訳の 2.2%ポーランド: 引用元論文 126 件、この内訳の 2%カナダ: 引用元論文 106 件、この内訳の 1.7%
0%14.2%その他 37.1%

機関

分野

  • Computer Science61.7%
  • Biochemistry, Genetics and Molecular Biology8.4%
  • Chemistry6.5%
  • Medicine6.4%
  • Environmental Science6.1%
  • Materials Science3.7%
  • その他7.2%

トピック

  • Computational Drug Discovery Methods27%
  • Machine Learning in Materials Science4.8%
  • Analytical Chemistry and Chromatography4.1%
  • Synthesis and biological activity3.1%
  • Metabolomics and Mass Spectrometry Studies3%
  • Protein Structure and Dynamics2.2%
  • その他55.8%

共著者

全論文

検索で開く
  1. QSAR Modeling: Where Have You Been? Where Are You Going To?

    著者: Artem Cherkasov, Eugene Muratov, Denis Fourches, Alexandre Varnek, Igor I. Baskin, M Cronin, John C. Dearden, Paola Gramatica, Yvonne C. Martin, Roberto Todeschini, Viviana Consonni, V. Е. Kuz’min, Richard D. Cramer, Romualdo Benigni, Chihae Yang, James F. Rathman, Lothar Terfloth, Johann Gasteiger, Ann Richard, Alexander Tropsha - Journal of Medicinal Chemistry 2013 被引用: 2,073

  2. Principles of QSAR models validation: internal and external

    著者: Paola Gramatica - QSAR & Combinatorial Science 2007 被引用: 2,153

  3. The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

    著者: Alexander Tropsha, Paola Gramatica, Vijay K. Gombar - QSAR & Combinatorial Science 2003 被引用: 2,154

  4. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models

    著者: Paola Gramatica, Nicola Chirico, Ester Papa, Stefano Cassani, Simona Kovarich - Journal of Computational Chemistry, J. Comput. Chem. 2013 被引用: 766

  5. Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient

    著者: Nicola Chirico, Paola Gramatica - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2011 被引用: 752

  6. Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships

    著者: Tatiana I. Netzeva, Andrew Worth, Tom Aldenberg, Romualdo Benigni, M Cronin, Paola Gramatica, Joanna Jaworska, Scott D. Kahn, Gilles Klopman, Carol A. Marchant, Glenn J. Myatt, Nina Nikolova-Jeliazkova, Grace Patlewicz, Roger Perkins, David W. Roberts, T.W. Schultz, David T. Stanton, Johannes J.M. van de Sandt, Weida Tong, Gilman D. Veith, Chihae Yang - Alternatives to Laboratory Animals 2005 被引用: 814

  7. Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs.

    著者: Lennart Eriksson, Joanna Jaworska, Andrew Worth, M Cronin, R.M. McDowell, Paola Gramatica - Environmental Health Perspectives 2003 被引用: 1,306

  8. A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology

    著者: Paola Gramatica, Alessandro Sangion - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2016 被引用: 421

  9. Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection

    著者: Nicola Chirico, Paola Gramatica - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2012 被引用: 528

  10. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

    著者: Kamel Mansouri, Nicole Kleinstreuer, Ahmed M. Abdelaziz, Domenico Alberga, Vinícius M. Alves, Patrik L. Andersson, Carolina Horta Andrade, Fang Bai, Ilya A. Balabin, Davide Ballabio, Emilio Benfenati, Barun Bhhatarai, Scott Boyer, Jingwen Chen, Viviana Consonni, Sherif S. Farag, Denis Fourches, Alfonso T. García‐Sosa, Paola Gramatica, Francesca Grisoni, Chris Grulke, Huixiao Hong, Dragos Horvath, Xin Hu, Ruili Huang, Nina Jeliazkova, Jiazhong Li, Xuehua Li, Huanxiang Liu, Serena Manganelli, Giuseppe Felice Mangiatordi, Uko Maran, Gilles Marcou, Todd M. Martin, Eugene Muratov, Ðắc-Trung Nguyễn, Orazio Nicolotti, Nikolai Georgiev Nikolov, Ulf Norinder, Ester Papa, Michel Petitjean, Geven Piir, Pavel V. Pogodin, Vladimir Poroikov, Xianliang Qiao, Ann M. Richard, Alessandra Roncaglioni, Patricia Ruiz, Chetan Rupakheti, Sugunadevi Sakkiah, Alessandro Sangion, Karl‐Werner Schramm, Chandrabose Selvaraj, Imran Shah, Sulev Sild, Lixia Sun, Olivier Taboureau, Yun Tang, Igor V. Tetko, Roberto Todeschini, Weida Tong, Daniela Trisciuzzi, Alexander Tropsha, George A. Van Den Driessche, Alexandre Varnek, Zhongyu Wang, Eva Bay Wedebye, Antony Williams, Hong‐Bin Xie, Alexey Zakharov, Ziye Zheng, Richard Judson - Environmental Health Perspectives 2020 被引用: 214

  11. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS

    著者: Paola Gramatica, Stefano Cassani, Nicola Chirico - Journal of Computational Chemistry, J. Comput. Chem. 2014 被引用: 387

  12. Principles of QSAR Modeling

    著者: Paola Gramatica - International Journal of Quantitative Structure-Property Relationships 2020 被引用: 249

  13. Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

    著者: Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Artem Cherkasov, Jiazhong Li, Paola Gramatica, Katja Hansen, Timon Schroeter, Klaus-Robert Müller, Lili Xi, Huanxiang Liu, Xiaojun Yao, Tomas Öberg, Farhad Hormozdiari, Phuong Dao, Süleyman Cenk Sahinalp, Roberto Todeschini, Pavel G. Polishchuk, Anatoly G. Artemenko, Victor Kuzmin, Todd M. Martin, Douglas M. Young, Denis Fourches, Eugene N. Muratov, Alexander Tropsha, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Christophe Muller, Alexandre Varnek, Volodymyr V. Prokopenko, Igor V. Tetko - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2010 被引用: 259

  14. On the Development and Validation of QSAR Models

    著者: Paola Gramatica - Methods in molecular biology 2012 被引用: 278

  15. A bibliometric analysis of the Cheminformatics/QSAR literature (2000–2023) for predictive modeling in data science using the SCOPUS database

    著者: Arkaprava Banerjee, Kunal Roy, Paola Gramatica - Molecular Diversity 2024 被引用: 29

  16. QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo‐)triazoles on Algae

    著者: Paola Gramatica, Stefano Cassani, Partha Pratim Roy, Simona Kovarich, Chun Wei Yap, Ester Papa - Molecular Informatics 2012 被引用: 259

  17. Daphnia and fish toxicity of (benzo)triazoles: Validated QSAR models, and interspecies quantitative activity–activity modelling

    著者: Stefano Cassani, Simona Kovarich, Ester Papa, Partha Pratim Roy, Leon van der Wal, Paola Gramatica - Journal of Hazardous Materials 2013 被引用: 115

  18. Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis

    著者: Hao Zhu, Alexander Tropsha, Denis Fourches, Alexandre Varnek, Ester Papa, Paola Gramatica, Tomas Öberg, Phuong Dao, Artem Cherkasov, Igor V. Tetko - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2008 被引用: 301

  19. QSAR Prediction of Estrogen Activity for a Large Set of Diverse Chemicals under the Guidance of OECD Principles

    著者: Huanxiang Liu, Ester Papa, Paola Gramatica - Chemical Research in Toxicology 2006 被引用: 135

  20. Linear QSAR regression models for the prediction of bioconcentration factors by physicochemical properties and structural theoretical molecular descriptors

    著者: Ester Papa, John C. Dearden, Paola Gramatica - Chemosphere 2006 被引用: 96

  21. Metabolic biotransformation half-lives in fish: QSAR modeling and consensus analysis

    著者: Ester Papa, Leon van der Wal, Jon A. Arnot, Paola Gramatica - The Science of The Total Environment 2013 被引用: 90

  22. Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview

    著者: Paola Gramatica - Journal of Chemometrics 2025 被引用: 35

  23. Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies

    著者: Viviana Consonni, Roberto Todeschini, Manuela Pavan, Paola Gramatica - Journal of Chemical Information and Computer Sciences, J. Chem. Inf. Comput. Sci. 2002 被引用: 287

  24. External Evaluation of QSAR Models, in Addition to Cross‐Validation: Verification of Predictive Capability on Totally New Chemicals

    著者: Paola Gramatica - Molecular Informatics 2014 被引用: 112