Paola Gramatica

20.9k total citations · 8 hit papers
160 papers, 15.5k citations indexed

About

Paola Gramatica is a scholar working on Computational Theory and Mathematics, Organic Chemistry and Health, Toxicology and Mutagenesis. According to data from OpenAlex, Paola Gramatica has authored 160 papers receiving a total of 15.5k indexed citations (citations by other indexed papers that have themselves been cited), including 91 papers in Computational Theory and Mathematics, 36 papers in Organic Chemistry and 32 papers in Health, Toxicology and Mutagenesis. Recurrent topics in Paola Gramatica's work include Computational Drug Discovery Methods (91 papers), Analytical Chemistry and Chromatography (24 papers) and Chemistry and Chemical Engineering (23 papers). Paola Gramatica is often cited by papers focused on Computational Drug Discovery Methods (91 papers), Analytical Chemistry and Chromatography (24 papers) and Chemistry and Chemical Engineering (23 papers). Paola Gramatica collaborates with scholars based in Italy, China and Germany. Paola Gramatica's co-authors include Ester Papa, Nicola Chirico, Alexander Tropsha, Vijay K. Gombar, Roberto Todeschini, Alessandro Sangion, Stefano Cassani, Simona Kovarich, M Cronin and Viviana Consonni and has published in prestigious journals such as Environmental Science & Technology, Chemistry of Materials and The Science of The Total Environment.

In The Last Decade

Paola Gramatica

158 papers receiving 15.1k citations

Hit Papers

5 papers align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

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

2003 1.8k citations Paola Gramatica et al. profile →
Principles of QSAR models validation: internal and external

2007 1.8k citations Paola Gramatica profile →
QSAR Modeling: Where Have You Been? Where Are You Going To?

2013 1.4k citations Paola Gramatica, Roberto Todeschini et al. profile →
Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs.

2003 1.1k citations Paola Gramatica et al. profile →
Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient

2011 611 citations Nicola Chirico, Paola Gramatica profile →
QSARINS: A new software for the development, analysis, and validation of QSAR MLR models

2013 589 citations Paola Gramatica, Nicola Chirico et al. Journal of Computational Chemistry profile →
Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection

2012 422 citations Nicola Chirico, Paola Gramatica profile →
A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology

2016 342 citations Paola Gramatica, Alessandro Sangion profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Paola Gramatica Italy	51	8.4k	3.7k	3.6k	2.7k	2.0k	160	15.5k
Kunal Roy India	53	8.9k 1.1×	3.7k 1.0×	3.9k 1.1×	1.4k 0.5×	909 0.5×	464	14.6k
M Cronin United Kingdom	62	7.4k 0.9×	8.4k 2.2×	3.6k 1.0×	5.6k 2.1×	1.8k 0.9×	359	30.4k
Emilio Benfenati Italy	53	5.0k 0.6×	2.2k 0.6×	1.5k 0.4×	3.2k 1.2×	1.8k 0.9×	511	11.5k
Roberto Todeschini Italy	47	8.0k 1.0×	3.9k 1.1×	3.4k 0.9×	972 0.4×	584 0.3×	185	14.1k
Gerrit Schüürmann Germany	51	2.1k 0.3×	2.3k 0.6×	4.3k 1.2×	3.4k 1.3×	2.5k 1.3×	247	16.6k
Alexander Tropsha United States	67	13.7k 1.6×	9.5k 2.5×	4.7k 1.3×	1.0k 0.4×	494 0.2×	307	23.8k
Viviana Consonni Italy	35	6.4k 0.8×	3.1k 0.8×	2.4k 0.7×	710 0.3×	436 0.2×	97	10.9k
Corwin Hansch United States	66	7.0k 0.8×	9.5k 2.5×	13.2k 3.6×	1.4k 0.5×	926 0.5×	335	33.2k
Albert J. Leo United States	33	2.3k 0.3×	4.0k 1.1×	8.5k 2.4×	818 0.3×	547 0.3×	53	19.1k
T.W. Schultz United States	48	2.8k 0.3×	1.5k 0.4×	1.2k 0.3×	2.6k 1.0×	1.4k 0.7×	231	7.5k

Countries citing papers authored by Paola Gramatica

Since Specialization

Citations

This map shows the geographic impact of Paola Gramatica's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Paola Gramatica with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Paola Gramatica more than expected).

Fields of papers citing papers by Paola Gramatica

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Paola Gramatica. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Paola Gramatica. The network helps show where Paola Gramatica may publish in the future.

Co-authorship network of co-authors of Paola Gramatica

This figure shows the co-authorship network connecting the top 25 collaborators of Paola Gramatica. A scholar is included among the top collaborators of Paola Gramatica based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Paola Gramatica. Paola Gramatica is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

Gramatica, Paola. (2025). Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview. Journal of Chemometrics. 39(3). 13 indexed citations

Chirico, Nicola, et al.. (2021). QSARINS‐Chem standalone version: A new platform‐independent software to profile chemicals for physico‐chemical properties, fate, and toxicity. Journal of Computational Chemistry. 42(20). 1452–1460. 22 indexed citations

Gramatica, Paola, Ester Papa, & Alessandro Sangion. (2017). QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals. Environmental Science Processes & Impacts. 20(1). 38–47. 37 indexed citations

Papa, Ester, Alessandro Sangion, Jon A. Arnot, & Paola Gramatica. (2017). Development of human biotransformation QSARs and application for PBT assessment refinement. Food and Chemical Toxicology. 112. 535–543. 30 indexed citations

Caruso, Enrico, Marzia Bruna Gariboldi, Alessandro Sangion, Paola Gramatica, & Stefano Banfi. (2017). Synthesis, photodynamic activity, and quantitative structure-activity relationship modelling of a series of BODIPYs. Journal of Photochemistry and Photobiology B Biology. 167. 269–281. 31 indexed citations

Gramatica, Paola. (2012). On the Development and Validation of QSAR Models. Methods in molecular biology. 930. 499–526. 203 indexed citations

Gramatica, Paola, Stefano Cassani, Partha Pratim Roy, et al.. (2012). QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo‐)triazoles on Algae. Molecular Informatics. 31(11-12). 817–835. 198 indexed citations

Bhhatarai, Barun & Paola Gramatica. (2010). Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse. Molecular Diversity. 15(2). 467–476. 30 indexed citations

Li, Jiazhong, Shuyan Li, Beilei Lei, et al.. (2009). A new strategy to improve the predictive ability of the local lazy regression and its application to the QSAR study of melanin‐concentrating hormone receptor 1 antagonists. Journal of Computational Chemistry. 31(5). 973–985. 7 indexed citations

10.

Liu, Huanxiang, Ester Papa, John D. Walker, & Paola Gramatica. (2007). In silico screening of estrogen-like chemicals based on different nonlinear classification models. Journal of Molecular Graphics and Modelling. 26(1). 135–144. 26 indexed citations

11.

Gramatica, Paola, Ester Papa, Assunta Marrocchi, Lucio Minuti, & Aldo Taticchi. (2006). Quantitative structure–activity relationship modeling of polycyclic aromatic hydrocarbon mutagenicity by classification methods based on holistic theoretical molecular descriptors. Ecotoxicology and Environmental Safety. 66(3). 353–361. 14 indexed citations

12.

Gramatica, Paola, Pamela Pilutti, & Ester Papa. (2005). Ranking of Phenols for Abiotic Oxidation in Aqueous Environment: a QSPR Approach. Annali di Chimica. 95(3-4). 199–209. 3 indexed citations

13.

Faust, Michael, Rolf Altenburger, Thomas Backhaus, et al.. (2003). Joint algal toxicity of 16 dissimilarly acting chemicals is predictable by the concept of independent action. Aquatic Toxicology. 63(1). 43–63. 362 indexed citations

14.

Gramatica, Paola, A. Santagostino, Ezio Bolzacchini, & Bruno Rindone. (2002). Atmospheric monitoring, toxicology and QSAR modelling of nitrophenols. Fresenius environmental bulletin. 11. 757–762. 3 indexed citations

15.

Gramatica, Paola & Antonio Di Guardo. (2002). Screening of pesticides for environmental partitioning tendency. Chemosphere. 47(9). 947–956. 56 indexed citations

16.

Gramatica, Paola, et al.. (2001). QSAR approach to POPs screening for atmospheric persistence. Chemosphere. 43(4-7). 655–664. 28 indexed citations

17.

Faust, Michael, Rolf Altenburger, Thomas Backhaus, et al.. (2001). Predicting the joint algal toxicity of multi-component s-triazine mixtures at low-effect concentrations of individual toxicants. Aquatic Toxicology. 56(1). 13–32. 338 indexed citations

18.

Gramatica, Paola, et al.. (2000). Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere. 41(5). 763–777. 151 indexed citations

19.

Gramatica, Paola, et al.. (1999). Study of the POP atmospheric mobility by QSAR approach. IrInSubria (University of Insubria). 1 indexed citations

20.

Manitto, Paolo, et al.. (1984). 13-cis-Crocin: A new crocinoid of saffron.. Gazzetta chimica italiana. 114. 189–192. 47 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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