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Roberto 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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last updated on 2024-06-19 21:04 CEST by the dblp team
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