Paola Gramatica - researchr alias

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Viewing Publication 1 - 16 from 16

2021

QSARINS-Chem standalone version: A new platform-independent software to profile chemicals for physico-chemical properties, fate, and toxicityNicola Chirico, Alessandro Sangion, Paola Gramatica, Linda Bertato, Ilaria Casartelli, Ester Papa. jcc, 42(20):1452-1460, 2021. [doi]

2016

A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and TerminologyPaola Gramatica, Alessandro Sangion. jcisd, 56(6):1127-1131, 2016. [doi]

2014

QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINSPaola Gramatica, Stefano Cassani, Nicola Chirico. jcc, 35(13):1036-1044, 2014. [doi]

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 Roy 0002. jcc, 34(20):1796, 2013. [doi]

QSARINS: A new software for the development, analysis, and validation of QSAR MLR modelsPaola Gramatica, Nicola Chirico, Ester Papa, Stefano Cassani, Simona Kovarich. jcc, 34(24):2121-2132, 2013. [doi]

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 Gramatica. jcisd, 52(8):2044-2058, 2012. [doi]

2011

Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation CoefficientNicola Chirico, Paola Gramatica. jcisd, 51(9):2320-2335, 2011. [doi]

QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazolesPartha Pratim Roy, Simona Kovarich, Paola Gramatica. jcc, 32(11):2386-2396, 2011. [doi]

2010

Classification and Virtual Screening of Androgen Receptor AntagonistsJiazhong Li, Paola Gramatica. jcisd, 50(5):861-874, 2010. [doi]

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 antagonistsJiazhong Li, Shuyan Li, Beilei Lei, Huanxiang Liu, Xiaojun Yao, Mancang Liu, Paola Gramatica. jcc, 31(5):973-985, 2010. [doi]

2008

2005

Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in ::::Pimephales ::::::::p::::::::romelas:::: (Fathead Minnow)Ester Papa, Fulvio Villa, Paola Gramatica. jcisd, 45(5):1256-1266, 2005. [doi]

2004

Validated QSAR Prediction of OH Tropospheric Degradation of VOCs: Splitting into Training-Test Sets and Consensus ModelingPaola Gramatica, Pamela Pilutti, Ester Papa. jcisd, 44(5):1794-1802, 2004. [doi]

2002

Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR StudiesViviana Consonni, Roberto Todeschini, Manuela Pavan, Paola Gramatica. jcisd, 42(3):693-705, 2002. [doi]

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