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ORCIDRoberto Todeschini
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2020 – today
- 2024
[j21]Davide Boldini, Davide Ballabio
, Viviana Consonni, Roberto Todeschini, Francesca Grisoni, Stephan A. Sieber:
Effectiveness of molecular fingerprints for exploring the chemical space of natural products. J. Cheminformatics 16(1): 35 (2024)
2010 – 2019
- 2019
- [d3]Davide Ballabio, Matteo Cassotti, Viviana Consonni, Roberto Todeschini:
QSAR fish toxicity. UCI Machine Learning Repository, 2019
- [d2]Davide Ballabio, Matteo Cassotti, Viviana Consonni, Roberto Todeschini:
QSAR aquatic toxicity. UCI Machine Learning Repository, 2019 - 2016
- [j20]Andrea Mauri, Davide Ballabio, Roberto Todeschini, Viviana Consonni:
Mixtures, metabolites, ionic liquids: a new measure to evaluate similarity between complex chemical systems. J. Cheminformatics 8(1): 49:1-49:3 (2016) - [j19]Roberto Todeschini, Davide Ballabio, Francesca Grisoni:
Beware of Unreliable Q2! A Comparative Study of Regression Metrics for Predictivity Assessment of QSAR Models. J. Chem. Inf. Model. 56(10): 1905-1913 (2016) - 2015
- [j18]Roberto Todeschini, Davide Ballabio, Matteo Cassotti, Viviana Consonni:
N3 and BNN: Two New Similarity Based Classification Methods in Comparison with Other Classifiers. J. Chem. Inf. Model. 55(11): 2365-2374 (2015) - 2013
- [j17]Faizan Sahigara, Davide Ballabio, Roberto Todeschini, Viviana Consonni:
Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions. J. Cheminformatics 5: 27 (2013) - [j16]Kamel Mansouri, Tine Ringsted, Davide Ballabio, Roberto Todeschini, Viviana Consonni:
Quantitative Structure-Activity Relationship Models for Ready Biodegradability of Chemicals. J. Chem. Inf. Model. 53(4): 867-878 (2013) - [d1]Kamel Mansouri, Tine Ringsted, Davide Ballabio, Roberto Todeschini, Viviana Consonni:
QSAR biodegradation. UCI Machine Learning Repository, 2013 - 2012
- [j15]Roberto Todeschini, Viviana Consonni, Hua Xiang, John D. Holliday, Paolo Massimo Buscema, Peter Willett:
Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets. J. Chem. Inf. Model. 52(11): 2884-2901 (2012) - 2011
- [j14]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:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. 25(6): 533-554 (2011) - [j13]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:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Cheminformatics 3(S-1): 20 (2011) - [j12]Roberto Todeschini:
The j-index: a new bibliometric index and multivariate comparisons between other common indices. Scientometrics 87(3): 621-639 (2011) - 2010
- [j11]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 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:
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. J. Chem. Inf. Model. 50(12): 2094-2111 (2010)
2000 – 2009
- 2009
- [j10]Viviana Consonni, Davide Ballabio, Roberto Todeschini:
Comments on the Definition of the Q2 Parameter for QSAR Validation. J. Chem. Inf. Model. 49(7): 1669-1678 (2009) - 2008
- [j9]Igor V. Tetko, Iurii Sushko, Anil Kumar Pandey, Hao Zhu, Alexander Tropsha, Ester Papa, Tomas Öberg, Roberto Todeschini, Denis Fourches, Alexandre Varnek:
Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection. J. Chem. Inf. Model. 48(9): 1733-1746 (2008) - 2006
- [j8]Roberto Todeschini, Viviana Consonni, Andrea Mauri, Davide Ballabio:
Characterization of DNA Primary Sequences by a New Similarity/Diversity Measure Based on the Partial Ordering. J. Chem. Inf. Model. 46(5): 1905-1911 (2006) - 2005
- [j7]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:
Virtual Computational Chemistry Laboratory - Design and Description. J. Comput. Aided Mol. Des. 19(6): 453-463 (2005) - 2002
- [j6]Viviana Consonni, Roberto Todeschini, Manuela Pavan:
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 1. Theory of the Novel 3D Molecular Descriptors. J. Chem. Inf. Comput. Sci. 42(3): 682-692 (2002) - [j5]Viviana Consonni, Roberto Todeschini, Manuela Pavan, Paola Gramatica:
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. 42(3): 693-705 (2002)
1990 – 1999
- 1997
- [j4]Gianpaolo Bravi, Emanuela Gancia, Paolo Mascagni, Monica Pegna, Roberto Todeschini, Andrea Zaliani:
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. 11(1): 79-92 (1997) - 1994
- [b1]Ildiko E. Frank, Roberto Todeschini:
The data analysis handbook. Data handling in science and technology 14, North-Holland 1994, ISBN 978-0-444-81659-7, pp. I-XVIII, 1-365 - [j3]Laura Belvisi, Gianpaolo Bravi, Carlo Scolastico, Anna Vulpetti, Aldo Salimbeni, Roberto Todeschini:
A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonists. J. Comput. Aided Mol. Des. 8(2): 211-220 (1994) - 1992
- [j2]U. Cosentino, G. Moro, D. Pitea, S. Scolastico, Roberto Todeschini, Carlo Scolastico:
Pharmacophore identification by molecular modeling and chemometrics: The case of HMG-CoA reductase inhibitors. J. Comput. Aided Mol. Des. 6(1): 47-60 (1992) - 1991
- [j1]Laura Belvisi, S. Brossa, Aldo Salimbeni, Carlo Scolastico, Roberto Todeschini:
Structure-activity relationship of Ca2+ channel blockers: A study using conformational analysis and chemometric methods. J. Comput. Aided Mol. Des. 5(6): 571-584 (1991)
Coauthor Index
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