Paola Gramatica
Orcid: 0000-0002-6364-6138
According to our database1,
Paola Gramatica
authored at least 16 papers
between 2002 and 2021.
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Bibliography
2021
QSARINS-Chem standalone version: A new platform-independent software to profile chemicals for physico-chemical properties, fate, and toxicity.
J. Comput. Chem., 2021
2016
A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology.
J. Chem. Inf. Model., 2016
2014
QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS.
J. Comput. Chem., 2014
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".
J. Comput. Chem., 2013
QSARINS: A new software for the development, analysis, and validation of QSAR MLR models.
J. Comput. Chem., 2013
2012
Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection.
J. Chem. Inf. Model., 2012
2011
Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient.
J. Chem. Inf. Model., 2011
QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles.
J. Comput. Chem., 2011
2010
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
J. Chem. Inf. Model., 2010
J. Chem. Inf. Model., 2010
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.
J. Comput. Chem., 2010
2008
Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis.
J. Chem. Inf. Model., 2008
QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling.
J. Comput. Chem., 2008
2005
Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in <i>Pimephales </i><i>p</i><i>romelas</i> (Fathead Minnow).
J. Chem. Inf. Model., 2005
2004
Validated QSAR Prediction of OH Tropospheric Degradation of VOCs: Splitting into Training-Test Sets and Consensus Modeling.
J. Chem. Inf. Model., 2004
2002
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies.
J. Chem. Inf. Comput. Sci., 2002