Paola Gramatica

University of Insubria — Italy

Computer Science · Physical Sciences

58h-index20.8kcitations260works24.52yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Computational Drug Discovery Methods(128), Chemistry and Chemical Engineering(39), Analytical Chemistry and Chromatography(32), Free Radicals and Antioxidants(26), Toxic Organic Pollutants Impact(21)

Publications260 total

Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview
Journal of Chemometrics·2025· 22 citedOpen Access
A bibliometric analysis of the Cheminformatics/QSAR literature (2000–2023) for predictive modeling in data science using the SCOPUS database
Molecular Diversity·2024· 27 cited
<scp>QSARINS</scp>‐Chem standalone version: A new platform‐independent software to profile chemicals for physico‐chemical properties, fate, and toxicity
Journal of Computational Chemistry·2021· 29 citedOpen Access
QSAR Modeling: Where Have You Been? Where Are You Going To?
UNC Libraries·2020· 1 citedOpen Access
Principles of QSAR Modeling
International Journal of Quantitative Structure-Property Relationships·2020· 230 citedOpen Access
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
Environmental Health Perspectives·2020· 199 citedOpen Access
QSARINS and QSARINS-Chem standalone version: Tools for QSAR models development, validation and application
IrInSubria (University of Insubria)·2020
QSARINS-Chem standalone version: a free platform-independent software for QSAR-based predictions of properties and activities of organic chemicals
IrInSubria (University of Insubria)·2019
The new QSARINS-Chem standalone version to profile the hazard of organic chemicals
2019
Computational tools for in silico multi property profiling of chemicals
IrInSubria (University of Insubria)·2019
QSARINS-Chem Standalone Version
IrInSubria (University of Insubria)·2019
Quantitative Prediction of Rat Hepatotoxicity by Molecular Structure
International Journal of Quantitative Structure-Property Relationships·2018· 3 cited
QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals
Environmental Science Processes & Impacts·2017· 52 cited
Development of human biotransformation QSARs and application for PBT assessment refinement
Food and Chemical Toxicology·2017· 38 cited
Synthesis, photodynamic activity, and quantitative structure-activity relationship modelling of a series of BODIPYs
Journal of Photochemistry and Photobiology B Biology·2017· 39 cited
In Silico Approaches for the Prediction of In Vivo Biotransformation Rates
Challenges and advances in computational chemistry and physics·2017· 6 cited
Combined Ligand/Structure-Based Virtual Screening and Molecular Dynamics Simulations of Steroidal Androgen Receptor Antagonists
BioMed Research International·2017· 9 citedOpen Access
Prioritization of Chemicals Based on Chemoinformatic Analysis
2017
Ecotoxicity interspecies QAAR models from <i>Daphnia</i> toxicity of pharmaceuticals and personal care products
SAR and QSAR in environmental research·2016· 29 cited
Hazard of pharmaceuticals for aquatic environment: Prioritization by structural approaches and prediction of ecotoxicity
Environment International·2016· 135 citedOpen Access
page 1 of 13Next →

Frequent Co-authors

Ester Papa(16), Roberto Todeschini(10), Martin Scholze(6), Alexander Tropsha(5), Stefano Cassani(5), Simona Kovarich(5), Michael Faust(5), Rolf Altenburger(5), Thomas Backhaus(5), Marco Vighi(5), L. Horst Grimme(5), Alessandro Sangion(5), Denis Fourches(4), Viviana Consonni(4), Nicola Chirico(4), Hans Blanck(4), Huanxiang Liu(4), Artem Cherkasov(3), Eugene Muratov(3), Alexandre Varnek(3)