Roberto Todeschini
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Explore the profile of Roberto Todeschini including associated specialties, affiliations and a list of published articles.
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48
Citations
1983
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Recent Articles
11.
Tripaldi P, Perez-Gonzalez A, Rojas C, Radax J, Ballabio D, Todeschini R
Protein Pept Lett
. 2018 Nov;
25(11):1015-1023.
PMID: 30430931
Background: Local classification models were used to establish Quantitative Structure- Activity Relationships (QSARs) of bioactive di-, tri- and tetrapeptides, with their capacity to inhibit Angiotensin Converting Enzyme (ACE). These discrete...
12.
Grisoni F, Consonni V, Todeschini R
Methods Mol Biol
. 2018 Oct;
1825:171-209.
PMID: 30334206
Molecular descriptors encode a wide variety of molecular information and have become the support of many contemporary chemoinformatic and bioinformatic applications. They grasp specific molecular features (e.g., geometry, shape, pharmacophores,...
13.
Consonni V, Todeschini R, Ballabio D, Grisoni F
Mol Inform
. 2018 Aug;
38(1-2):e1800029.
PMID: 30142701
Quantitative Structure - Activity Relationship (QSAR) models play a central role in medicinal chemistry, toxicology and computer-assisted molecular design, as well as a support for regulatory decisions and animal testing...
14.
Grisoni F, Ballabio D, Todeschini R, Consonni V
Methods Mol Biol
. 2018 Jun;
1800:3-53.
PMID: 29934886
Molecular descriptors capture diverse parts of the structural information of molecules and they are the support of many contemporary computer-assisted toxicological and chemical applications. After briefly introducing some fundamental concepts...
15.
Rojas C, Todeschini R, Ballabio D, Mauri A, Consonni V, Tripaldi P, et al.
Front Chem
. 2017 Aug;
5:53.
PMID: 28791285
This work describes a novel approach based on advanced molecular similarity to predict the sweetness of chemicals. The proposed Quantitative Structure-Taste Relationship (QSTR) model is an expert system developed keeping...
16.
Mauri A, Ballabio D, Todeschini R, Consonni V
J Cheminform
. 2017 Mar;
8:49.
PMID: 28316647
This communication deals with the scientific problem of evaluating the similarity between two chemical systems, each described by a finite discrete set of elements/members, which are in turn -dimensional vectors...
17.
Todeschini R, Pazos A, Arrasate S, Gonzalez-Diaz H
Int J Mol Sci
. 2016 Dec;
17(12).
PMID: 27983646
n/a.
18.
Grisoni F, Reker D, Schneider P, Friedrich L, Consonni V, Todeschini R, et al.
Mol Inform
. 2016 Sep;
36(1-2).
PMID: 27650559
Molecular descriptors capture diverse structural information of molecules and are a prerequisite for ligand-based similarity searching. In this study, we introduce topological matrix-based descriptors to virtual screening for hit discovery....
19.
Todeschini R, Ballabio D, Grisoni F
J Chem Inf Model
. 2016 Sep;
56(10):1905-1913.
PMID: 27633067
Validation is an essential step of QSAR modeling, and it can be performed by both internal validation techniques (e.g., cross-validation, bootstrap) or by an external set of test objects, that...
20.
Nembri S, Grisoni F, Consonni V, Todeschini R
Int J Mol Sci
. 2016 Jun;
17(6).
PMID: 27294921
Cytochromes P450 (CYP) are the main actors in the oxidation of xenobiotics and play a crucial role in drug safety, persistence, bioactivation, and drug-drug/food-drug interaction. This work aims to develop...