Roberto Todeschini - researchr alias

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Viewing Publication 1 - 22 from 22

2024

Effectiveness of molecular fingerprints for exploring the chemical space of natural productsDavide Boldini, Davide Ballabio, Viviana Consonni, Roberto Todeschini, Francesca Grisoni, Stephan A. Sieber. jcheminf, 16(1):35, December 2024. [doi]

2016

Mixtures, metabolites, ionic liquids: a new measure to evaluate similarity between complex chemical systemsAndrea Mauri 0002, Davide Ballabio, Roberto Todeschini, Viviana Consonni. jcheminf, 8(1), 2016. [doi]

2! A Comparative Study of Regression Metrics for Predictivity Assessment of QSAR ModelsRoberto Todeschini, Davide Ballabio, Francesca Grisoni. jcisd, 56(10):1905-1913, 2016. [doi]

2015

N3 and BNN: Two New Similarity Based Classification Methods in Comparison with Other ClassifiersRoberto Todeschini, Davide Ballabio, Matteo Cassotti, Viviana Consonni. jcisd, 55(11):2365-2374, 2015. [doi]

2013

Quantitative Structure-Activity Relationship Models for Ready Biodegradability of ChemicalsKamel Mansouri, Tine Ringsted, Davide Ballabio, Roberto Todeschini, Viviana Consonni. jcisd, 53(4):867-878, 2013. [doi]

Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictionsFaizan Sahigara, Davide Ballabio, Roberto Todeschini, Viviana Consonni. jcheminf, 5:27, 2013. [doi]

2012

Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data SetsRoberto Todeschini, Viviana Consonni, Hua Xiang, John D. Holliday, Massimo Buscema, Peter Willett 0002. jcisd, 52(11):2884-2901, 2012. [doi]

2011

The ::::j::::-index: a new bibliometric index and multivariate comparisons between other common indicesRoberto Todeschini. scientometrics, 87(3):621-639, 2011. [doi]

2010

2009

2 Parameter for QSAR ValidationViviana Consonni, Davide Ballabio, Roberto Todeschini. jcisd, 49(7):1669-1678, 2009. [doi]

2008

Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable SelectionIgor V. Tetko, Iurii Sushko, Anil Kumar Pandey, Hao Zhu, Alexander Tropsha, Ester Papa, Tomas Öberg, Roberto Todeschini, Denis Fourches, Alexandre Varnek. jcisd, 48(9):1733-1746, 2008. [doi]

2006

Characterization of DNA Primary Sequences by a New Similarity/Diversity Measure Based on the Partial OrderingRoberto Todeschini, Viviana Consonni, Andrea Mauri, Davide Ballabio. jcisd, 46(5):1905-1911, 2006. [doi]

2005

Virtual Computational Chemistry Laboratory - Design and DescriptionIgor V. Tetko, Johann Gasteiger, Roberto Todeschini, Andrea Mauri, David J. Livingstone, Peter Ertl, Vladimir A. Palyulin, Eugene V. Radchenko, Nikolai S. Zefirov, Alexander S. Makarenko, Vsevolod Yu. Tanchuk, Volodymyr V. Prokopenko. jcamd, 19(6):453-463, 2005. [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]

Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 1. Theory of the Novel 3D Molecular DescriptorsViviana Consonni, Roberto Todeschini, Manuela Pavan. jcisd, 42(3):682-692, 2002. [doi]

1997

MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroidsGianpaolo Bravi, Emanuela Gancia, Paolo Mascagni, Monica Pegna, Roberto Todeschini, Andrea Zaliani. jcamd, 11(1):79-92, 1997. [doi]

1994

A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonistsLaura Belvisi, Gianpaolo Bravi, Carlo Scolastico, Anna Vulpetti, Aldo Salimbeni, Roberto Todeschini. jcamd, 8(2):211-220, 1994.

The data analysis handbookIldiko E. Frank, Roberto Todeschini. Volume 14 of Data handling in science and technology, North-Holland, 1994.

1992

Pharmacophore identification by molecular modeling and chemometrics: The case of HMG-CoA reductase inhibitorsU. Cosentino, G. Moro, D. Pitea, S. Scolastico, Roberto Todeschini, Carlo Scolastico. jcamd, 6(1):47-60, 1992.

1991

Structure-activity relationship of Ca2+ channel blockers: A study using conformational analysis and chemometric methodsLaura Belvisi, S. Brossa, Aldo Salimbeni, Carlo Scolastico, Roberto Todeschini. jcamd, 5(6):571-584, 1991. [doi]

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