Paola Gramatica

16 papers Journal 16
YearRankTypeTitle / Venue / Authors
2021 J jnl
QSARINS-Chem standalone version: A new platform-independent software to profile chemicals for physico-chemical properties, fate, and toxicity.
J. Comput. Chem.
Nicola Chirico, Alessandro Sangion, Paola Gramatica, Linda Bertato, Ilaria Casartelli, Ester Papa
2016 J jnl
A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology.
J. Chem. Inf. Model.
Paola Gramatica, Alessandro Sangion
2014 J jnl
QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS.
J. Comput. Chem.
Paola Gramatica, Stefano Cassani, Nicola Chirico
2013 J jnl
QSARINS: A new software for the development, analysis, and validation of QSAR MLR models.
J. Comput. Chem.
Paola Gramatica, Nicola Chirico, Ester Papa, Stefano Cassani, Simona Kovarich
2013 J jnl
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.
Paola Gramatica, Simona Kovarich, Partha Pratim Roy
2012 J jnl
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.
Nicola Chirico, Paola Gramatica
2011 J jnl
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.
Partha Pratim Roy, Simona Kovarich, Paola Gramatica
2011 J jnl
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.
Nicola Chirico, Paola Gramatica
2010 J jnl
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.
Jiazhong Li, Shuyan Li, Beilei Lei, Huanxiang Liu, Xiaojun Yao, Mancang Liu, Paola Gramatica
2010 J jnl
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
J. Chem. Inf. Model.
Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Artem Cherkasov, Jiazhong Li, Paola Gramatica, Katja Hansen, Timon Schroeter, Klaus-Robert Müller, Lili Xi, Huanxiang Liu, Xiaojun Yao, Tomas Öberg, Farhad Hormozdiari, Phuong Dao, Süleyman Cenk Sahinalp, Roberto Todeschini, Pavel G. Polishchuk, Anatoly G. Artemenko, Victor Kuzmin, Todd M. Martin, Douglas M. Young, Denis Fourches, Eugene N. Muratov, Alexander Tropsha, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Christophe Muller, Alexandre Varnek, Volodymyr V. Prokopenko, Igor V. Tetko
2010 J jnl
Classification and Virtual Screening of Androgen Receptor Antagonists.
J. Chem. Inf. Model.
Jiazhong Li, Paola Gramatica
2008 J jnl
Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis.
J. Chem. Inf. Model.
Hao Zhu, Alexander Tropsha, Denis Fourches, Alexandre Varnek, Ester Papa, Paola Gramatica, Tomas Öberg, Phuong Dao, Artem Cherkasov, Igor V. Tetko
2008 J jnl
QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling.
J. Comput. Chem.
Jiazhong Li, Beilei Lei, Huanxiang Liu, Shuyan Li, Xiaojun Yao, Mancang Liu, Paola Gramatica
2005 J jnl
Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in
J. Chem. Inf. Model.
Ester Papa, Fulvio Villa, Paola Gramatica
2004 J jnl
Validated QSAR Prediction of OH Tropospheric Degradation of VOCs: Splitting into Training-Test Sets and Consensus Modeling.
J. Chem. Inf. Model.
Paola Gramatica, Pamela Pilutti, Ester Papa
2002 J jnl
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.
Viviana Consonni, Roberto Todeschini, Manuela Pavan, Paola Gramatica