Roberto Todeschini

22 papers Journal 21
YearRankTypeTitle / Venue / Authors
2024 J jnl
Effectiveness of molecular fingerprints for exploring the chemical space of natural products.
J. Cheminformatics
Davide Boldini, Davide Ballabio, Viviana Consonni, Roberto Todeschini, Francesca Grisoni, Stephan A. Sieber
2016 J jnl
Beware of Unreliable
J. Chem. Inf. Model.
Roberto Todeschini, Davide Ballabio, Francesca Grisoni
2016 J jnl
Mixtures, metabolites, ionic liquids: a new measure to evaluate similarity between complex chemical systems.
J. Cheminformatics
Andrea Mauri, Davide Ballabio, Roberto Todeschini, Viviana Consonni
2015 J jnl
N3 and BNN: Two New Similarity Based Classification Methods in Comparison with Other Classifiers.
J. Chem. Inf. Model.
Roberto Todeschini, Davide Ballabio, Matteo Cassotti, Viviana Consonni
2013 J jnl
Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions.
J. Cheminformatics
Faizan Sahigara, Davide Ballabio, Roberto Todeschini, Viviana Consonni
2013 J jnl
Quantitative Structure-Activity Relationship Models for Ready Biodegradability of Chemicals.
J. Chem. Inf. Model.
Kamel Mansouri, Tine Ringsted, Davide Ballabio, Roberto Todeschini, Viviana Consonni
2012 J jnl
Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets.
J. Chem. Inf. Model.
Roberto Todeschini, Viviana Consonni, Hua Xiang, John D. Holliday, Paolo Massimo Buscema, Peter Willett
2011 J jnl
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Comput. Aided Mol. Des.
Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko
2011 J jnl
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Cheminformatics
Iurii Sushko, Anil Kumar Pandey, Sergii Novotarskyi, Robert Körner, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko
2011 J jnl
The
Scientometrics
Roberto Todeschini
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
2009 J jnl
Comments on the Definition of the
J. Chem. Inf. Model.
Viviana Consonni, Davide Ballabio, Roberto Todeschini
2008 J jnl
Critical Assessment of QSAR Models of Environmental Toxicity against
J. Chem. Inf. Model.
Igor V. Tetko, Iurii Sushko, Anil Kumar Pandey, Hao Zhu, Alexander Tropsha, Ester Papa, Tomas Öberg, Roberto Todeschini, Denis Fourches, Alexandre Varnek
2006 J jnl
Characterization of DNA Primary Sequences by a New Similarity/Diversity Measure Based on the Partial Ordering.
J. Chem. Inf. Model.
Roberto Todeschini, Viviana Consonni, Andrea Mauri, Davide Ballabio
2005 J jnl
Virtual Computational Chemistry Laboratory - Design and Description.
J. Comput. Aided Mol. Des.
Igor 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
2002 J jnl
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 1. Theory of the Novel 3D Molecular Descriptors.
J. Chem. Inf. Comput. Sci.
Viviana Consonni, Roberto Todeschini, Manuela Pavan
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
1997 J jnl
MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids.
J. Comput. Aided Mol. Des.
Gianpaolo Bravi, Emanuela Gancia, Paolo Mascagni, Monica Pegna, Roberto Todeschini, Andrea Zaliani
1994 J jnl
A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonists.
J. Comput. Aided Mol. Des.
Laura Belvisi, Gianpaolo Bravi, Carlo Scolastico, Anna Vulpetti, Aldo Salimbeni, Roberto Todeschini
1994 — book
The data analysis handbook.
Ildiko E. Frank, Roberto Todeschini
1992 J jnl
Pharmacophore identification by molecular modeling and chemometrics: The case of HMG-CoA reductase inhibitors.
J. Comput. Aided Mol. Des.
U. Cosentino, G. Moro, D. Pitea, S. Scolastico, Roberto Todeschini, Carlo Scolastico
1991 J jnl
Structure-activity relationship of Ca2+ channel blockers: A study using conformational analysis and chemometric methods.
J. Comput. Aided Mol. Des.
Laura Belvisi, S. Brossa, Aldo Salimbeni, Carlo Scolastico, Roberto Todeschini