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

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

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20 of 20 papers shown

#	Title	Journal	Authors	Indexed citations
1	Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview	Journal of Chemometrics	Paola Gramatica	13
2	QSARINS‐Chem standalone version: A new platform‐independent software to profile chemicals for physico‐chemical properties, fate, and toxicity	Journal of Computational Chemistry	Nicola Chirico, Alessandro Sangion et al.	22
3	QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals	Environmental Science Processes & Impacts	Paola Gramatica, Ester Papa et al.	37
4	Development of human biotransformation QSARs and application for PBT assessment refinement	Food and Chemical Toxicology	Ester Papa, Alessandro Sangion et al.	30
5	Synthesis, photodynamic activity, and quantitative structure-activity relationship modelling of a series of BODIPYs	Journal of Photochemistry and Photobiology B Biology	Enrico Caruso, Marzia Bruna Gariboldi et al.	31
6	On the Development and Validation of QSAR Models	Methods in molecular biology	Paola Gramatica	203
7	QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo‐)triazoles on Algae	Molecular Informatics	Paola Gramatica, Stefano Cassani et al.	198
8	Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse	Molecular Diversity	Barun Bhhatarai, Paola Gramatica	30
9	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	Jiazhong Li, Shuyan Li et al.	7
10	In silico screening of estrogen-like chemicals based on different nonlinear classification models	Journal of Molecular Graphics and Modelling	Huanxiang Liu, Ester Papa et al.	26
11	Quantitative structure–activity relationship modeling of polycyclic aromatic hydrocarbon mutagenicity by classification methods based on holistic theoretical molecular descriptors	Ecotoxicology and Environmental Safety	Paola Gramatica, Ester Papa et al.	14
12	Ranking of Phenols for Abiotic Oxidation in Aqueous Environment: a QSPR Approach	Annali di Chimica	Paola Gramatica, Pamela Pilutti et al.	3
13	Joint algal toxicity of 16 dissimilarly acting chemicals is predictable by the concept of independent action	Aquatic Toxicology	Michael Faust, Rolf Altenburger et al.	362
14	Atmospheric monitoring, toxicology and QSAR modelling of nitrophenols	Fresenius environmental bulletin	Paola Gramatica, A. Santagostino et al.	3
15	Screening of pesticides for environmental partitioning tendency	Chemosphere	Paola Gramatica, Antonio Di Guardo	56
16	QSAR approach to POPs screening for atmospheric persistence	Chemosphere	Paola Gramatica, F. Consolaro et al.	28
17	Predicting the joint algal toxicity of multi-component s-triazine mixtures at low-effect concentrations of individual toxicants	Aquatic Toxicology	Michael Faust, Rolf Altenburger et al.	338
18	Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors	Chemosphere	Paola Gramatica, Viviana Consonni et al.	151
19	Study of the POP atmospheric mobility by QSAR approach	IrInSubria (University of Insubria)	Paola Gramatica, F. Consolaro et al.	1
20	13-cis-Crocin: A new crocinoid of saffron.	Gazzetta chimica italiana	Paolo Manitto, Daniela Monti et al.	47

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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