Roberto Todeschini

Orcid: 0000-0002-6454-4192

According to our database1, Roberto Todeschini authored at least 25 papers between 1991 and 2024.

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Bibliography

2024
Effectiveness of molecular fingerprints for exploring the chemical space of natural products.
J. Cheminformatics, December, 2024

2019
QSAR aquatic toxicity.
Dataset, September, 2019

QSAR fish toxicity.
Dataset, September, 2019

2016
Beware of Unreliable <i>Q</i><sup>2</sup>! A Comparative Study of Regression Metrics for Predictivity Assessment of QSAR Models.
J. Chem. Inf. Model., 2016

Mixtures, metabolites, ionic liquids: a new measure to evaluate similarity between complex chemical systems.
J. Cheminformatics, 2016

2015
N3 and BNN: Two New Similarity Based Classification Methods in Comparison with Other Classifiers.
J. Chem. Inf. Model., 2015

2013

Quantitative Structure-Activity Relationship Models for Ready Biodegradability of Chemicals.
J. Chem. Inf. Model., 2013

Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions.
J. Cheminformatics, 2013

2012
Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets.
J. Chem. Inf. Model., 2012

2011
The <i>j</i>-index: a new bibliometric index and multivariate comparisons between other common indices.
Scientometrics, 2011

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Cheminformatics, 2011

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Comput. Aided Mol. Des., 2011

2010
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
J. Chem. Inf. Model., 2010

2009
Comments on the Definition of the <i>Q</i><sup>2</sup> Parameter for QSAR Validation.
J. Chem. Inf. Model., 2009

2008
Critical Assessment of QSAR Models of Environmental Toxicity against <i>Tetrahymena pyriformis: </i> Focusing on Applicability Domain and Overfitting by Variable Selection.
J. Chem. Inf. Model., 2008

2006
Characterization of DNA Primary Sequences by a New Similarity/Diversity Measure Based on the Partial Ordering.
J. Chem. Inf. Model., 2006

2005
Virtual Computational Chemistry Laboratory - Design and Description.
J. Comput. Aided Mol. Des., 2005

2002
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., 2002

Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 1. Theory of the Novel 3D Molecular Descriptors.
J. Chem. Inf. Comput. Sci., 2002

1997
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., 1997

1994
A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonists.
J. Comput. Aided Mol. Des., 1994

The data analysis handbook.
Data handling in science and technology 14, North-Holland, ISBN: 978-0-444-81659-7, 1994

1992
Pharmacophore identification by molecular modeling and chemometrics: The case of HMG-CoA reductase inhibitors.
J. Comput. Aided Mol. Des., 1992

1991
Structure-activity relationship of Ca2+ channel blockers: A study using conformational analysis and chemometric methods.
J. Comput. Aided Mol. Des., 1991


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