Andrea Mauri [orcid: 0000-0002-1966-4347]
Andrea Mauri [orcid: 0000-0002-1966-4347]
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Virtual computational chemistry laboratory–design and description
IV Tetko, J Gasteiger, R Todeschini, A Mauri, D Livingstone, P Ertl, ...
Journal of computer-aided molecular design 19, 453-463, 2005
Dragon software: An easy approach to molecular descriptor calculations
A Mauri, V Consonni, M Pavan, R Todeschini
Match 56 (2), 237-248, 2006
Comparison of different approaches to define the applicability domain of QSAR models
F Sahigara, K Mansouri, D Ballabio, A Mauri, V Consonni, R Todeschini
Molecules 17 (5), 4791-4810, 2012
Detecting “bad” regression models: multicriteria fitness functions in regression analysis
R Todeschini, V Consonni, A Mauri, M Pavan
Analytica Chimica Acta 515 (1), 199-208, 2004
alvaDesc: A Tool to Calculate and Analyze Molecular Descriptors and Fingerprints
A Mauri
Ecotoxicological QSARs, 801-820, 2020
Molecular Descriptors
A Mauri, V Consonni, R Todeschini
Handbook of Computational Chemistry, 2017
A novel variable reduction method adapted from space-filling designs
D Ballabio, V Consonni, A Mauri, M Claeys-Bruno, M Sergent, ...
Chemometrics and Intelligent Laboratory Systems 136, 147-154, 2014
CATMoS: Collaborative acute toxicity modeling suite
K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, ...
Environmental health perspectives 129 (4), 047013, 2021
Prediction of Acute Aquatic Toxicity toward Daphnia Magna by using the GA-kNN Method
M Cassotti, D Ballabio, V Consonni, A Mauri, IV Tetko, R Todeschini
Alternatives to Laboratory Animals 42 (1), 31-41, 2014
MobyDigs: software for regression and classification models by genetic algorithms
R Todeschini, V Consonni, A Mauri, M Pavan, R Leardi
Nature-inspired Methods in Chemometrics: Genetic Algorithms and Artificial …, 2003
CAIMAN (Classification And Influence Matrix Analysis): A new approach to the classification based on leverage-scaled functions
R Todeschini, D Ballabio, V Consonni, A Mauri, M Pavan
Chemometrics and intelligent laboratory systems 87 (1), 3-17, 2007
A QSTR-Based Expert System to Predict Sweetness of Molecules
C Rojas, R Todeschini, D Ballabio, A Mauri, V Consonni, P Tripaldi, ...
Frontiers in chemistry 5, 53, 2017
Quantitative structure–activity relationships to predict sweet and non-sweet tastes
C Rojas, D Ballabio, V Consonni, P Tripaldi, A Mauri, R Todeschini
Theoretical Chemistry Accounts 135 (3), 66, 2016
Geographical classification of wine and olive oil by means of classification and influence matrix analysis (CAIMAN)
D Ballabio, A Mauri, R Todeschini, S Buratti
Analytica chimica acta 570 (2), 249-258, 2006
Alvascience: A New Software Suite for the QSAR Workflow Applied to the Blood–Brain Barrier Permeability
A Mauri, M Bertola
International Journal of Molecular Sciences 23 (21), 12882, 2022
Introduction to MOLE DB-on-line molecular descriptors database
D Ballabio, A Manganaro, V Consonni, A Mauri, R Todeschini
MATCH Commun Math Comput Chem 62, 199-207, 2009
Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data. Part 1. Theory and simple chemometric applications
R Todeschini, D Ballabio, V Consonni, A Manganaro, A Mauri
Analytica chimica acta 648 (1), 45-51, 2009
K-CM: A new artificial neural network. Application to supervised pattern recognition
M Buscema, V Consonni, D Ballabio, A Mauri, G Massini, M Breda, ...
Chemometrics and Intelligent Laboratory Systems 138, 110-119, 2014
Total ranking models by the genetic algorithm variable subset selection (GA–VSS) approach for environmental priority settings
M Pavan, A Mauri, R Todeschini
Analytical and bioanalytical chemistry 380, 430-444, 2004
Validation and extension of a similarity-based approach for prediction of acute aquatic toxicity towards Daphnia magna
M Cassotti, V Consonni, A Mauri, D Ballabio
SAR and QSAR in Environmental Research 25 (12), 1013-1036, 2014
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