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Journal of Chemical Information and Modeling|June 23, 2012
Real external predictivity of QSAR models. Part 2. New intercomparable thresholds for different validation criteria and the need for scatter plot inspectionNicola Chirico, Paola GramaticaChemosphere|July 11, 2002
Screening of pesticides for environmental partitioning tendencyPaola Gramatica, Antonio Di GuardoCombinatorial Chemistry & High Throughput Screening|June 13, 2009
The applications of machine learning algorithms in the modeling of estrogen-like chemicalsHuanxiang Liu, Xiaojun Yao, Paola GramaticaJournal of Computational Chemistry|March 7, 2014
QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINSPaola Gramatica, Stefano Cassani, Nicola ChiricoEnvironment International|January 26, 2015
PBT assessment and prioritization by PBT Index and consensus modeling: comparison of screening results from structural modelsPaola Gramatica, Stefano Cassani, Alessandro SangionMolecular Informatics|July 28, 2016
Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl-PyranonesBarun Bhhatarai, Rajni Garg, Paola GramaticaJournal of Hazardous Materials|January 8, 2016
Are some "safer alternatives" hazardous as PBTs? The case study of new flame retardantsPaola Gramatica, Stefano Cassani, Alessandro SangionMolecular Diversity|December 5, 2024
A bibliometric analysis of the Cheminformatics/QSAR literature (2000-2023) for predictive modeling in data science using the SCOPUS databaseArkaprava Banerjee, Kunal Roy, Paola GramaticaToxics|September 27, 2025
A Review of Quantitative Structure-Activity Relationship (QSAR) Models to Predict Thyroid Hormone System Disruption by Chemical SubstancesMarco Evangelista, Ester PapaJournal of Computational Chemistry|May 23, 2013
Reply to the comment of S. Rayne on "QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles"Paola Gramatica, Simona Kovarich, Partha Pratim RoyPageof 9