D. Ballabio

发表

Multiblock variance partitioning: a new approach for comparing variation in multiple data blocks.

R. Bro, T. Skov, D. Ballabio, 2008, Analytica chimica acta.

Monitoring of alcoholic fermentation using near infrared and mid infrared spectroscopies combined with electronic nose and electronic tongue.

D. Ballabio, N. Sinelli, S. Buratti, 2011, Analytica chimica acta.

Classification tools in chemistry. Part 1: linear models. PLS-DA

D. Ballabio, V. Consonni, 2013 .

A new concept of higher-order similarity and the role of distance/similarity measures in local classification methods

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2016 .

Effects of supervised Self Organising Maps parameters on classification performance.

Peter Filzmoser, Mahdi Vasighi, Davide Ballabio, 2013, Analytica chimica acta.

Geographical Characterization of Olive Oil by Means of Multivariate Classification: Application of CAIMAN

R. Todeschini, D. Ballabio, 2010 .

Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data. Part 3. Variable selection in classification.

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2010, Analytica chimica acta.

CAIMAN (Classification and Influence Matrix Analysis) : A new approach to the classification based on leverage-scaled functions

Manuela Pavan, Roberto Todeschini, Davide Ballabio, 2007 .

Geographical origin and authentication of extra virgin olive oils by an electronic nose in combination with artificial neural networks

Davide Ballabio, Simona Benedetti, Maria Stella Cosio, 2006 .

Geographical classification of wine and olive oil by means of classification and influence matrix analysis (CAIMAN).

Roberto Todeschini, Davide Ballabio, Susanna Buratti, 2006, Analytica chimica acta.

A chemometric approach based on a novel similarity/diversity measure for the characterisation and selection of electronic nose sensors.

R. Todeschini, D. Ballabio, S. Mannino, 2006, Analytica chimica acta.

Peptides multivariate characterisation using a molecular descriptor based approach

R. Todeschini, D. Ballabio, A. Mauri, 2008 .

Multivariate Classification for Qualitative Analysis

R. Todeschini, D. Ballabio, 2009 .

Evaluation of different storage conditions of extra virgin olive oils with an innovative recognition tool built by means of electronic nose and electronic tongue

D. Ballabio, S. Benedetti, M. S. Cosio, 2007 .

Classification of multiway analytical data based on MOLMAP approach.

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2007, Analytica chimica acta.

A novel variable reduction method adapted from space-filling designs

Roberto Todeschini, M. Claeys-Bruno, Davide Ballabio, 2014 .

R Todeschini, M Cassotti, R. Todeschini, 2015, SAR and QSAR in environmental research.

Distances and Similarity Measures in Chemometrics and Chemoinformatics

R. Todeschini, D. Ballabio, V. Consonni, 2020 .

Classification of ancient Etruscan ceramics using statistical multivariate analysis of data

P. Fermo, D. Ballabio, V. Consonni, 2004 .

Applications of Self-Organizing Maps to Address Environmental Studies

M. P. Gómez-Carracedo, D. Ballabio, V. Consonni, 2010 .

Geographical identification of Chianti red wine based on ICP-MS element composition.

R. Todeschini, M. Buscema, D. Ballabio, 2020, Food chemistry.

The use of diagnostic ratios, biomarkers and 3-way Kohonen neural networks to monitor the temporal evolution of oil spills.

M. P. Gómez-Carracedo, D. Ballabio, J. Andrade, 2015, Marine pollution bulletin.

Chemometric analysis of gas chromatography with flame ionisation detection chromatograms: a novel method for classification of petroleum products.

R. Todeschini, G. Tomasi, D. Ballabio, 2012, Journal of chromatography. A.

Valorization of Side-Streams from a SSF Biorefinery Plant: Wheat Straw Lignin Purification Study

D. Ballabio, M. Orlandi, L. Zoia, 2017 .

Nonlinear classification of commercial Mexican tequilas

M. P. Gómez-Carracedo, D. Ballabio, J. Andrade, 2017 .

Predicting molecular activity on nuclear receptors by multitask neural networks

R. Todeschini, D. Ballabio, V. Consonni, 2020, Journal of Chemometrics.

Dairy cream response in instrumental texture evaluation processed by multivariate analysis

R. Todeschini, D. Ballabio, L. Piazza, 2009 .

Multi-Task Neural Networks and Molecular Fingerprints to Enhance Compound Identification from LC-MS/MS Data

R. Todeschini, D. Ballabio, V. Consonni, 2022, Molecules.

Self organizing maps for analysis of polycyclic aromatic hydrocarbons 3-way data from spilled oils.

M. P. Gómez-Carracedo, R. Todeschini, D. Ballabio, 2010, Analytical chemistry.

R. Todeschini, D. Ballabio, V. Consonni, 2007 .

From the Streets to the Judicial Evidence: Determination of Traditional Illicit Substances in Drug Seizures by a Rapid and Sensitive UHPLC-MS/MS-Based Platform

D. Ballabio, V. Consonni, F. Gosetti, 2022, Molecules.

Improving bitter pit prediction by the use of X-ray fluorescence (XRF): A new approach by multivariate classification

Gustavo A. Lobos, D. Ballabio, R. Beaudry, 2022, Frontiers in Plant Science.

Classification-based QSAR Models for the Prediction of the Bioactivity of ACE-inhibitor Peptides.

R. Todeschini, D. Ballabio, C. Rojas, 2018, Protein and peptide letters.

Chemometrics for QSAR Modeling

Consonni, R. Todeschini, D. Ballabio, 2020 .

The Kohonen and CP-ANN toolbox: A collection of MATLAB modules for Self Organizing Maps and Counterpropagation Artificial Neural Networks

Davide Ballabio, Roberto Todeschini, Viviana Consonni, 2009 .

Principal Component Analysis to interpret changes in chromatic parameters on paint dosimeters exposed long-term to urban air

R. Todeschini, D. Ballabio, C. Cardell, 2017 .

Interactions between oral burn, meat flavor and texture in chili spiced pork patties evaluated by time-intensity

D. Ballabio, W. Bredie, M. Aaslyng, 2007 .

A MATLAB toolbox for Principal Component Analysis and unsupervised exploration of data structure

Davide Ballabio, D. Ballabio, 2015 .

A chemometric approach to the environmental problem of predicting toxicity in contaminated sediments

José Manuel Amigo, Rasmus Bro, Javier R. Viguri, 2010 .

Development of models for predicting toxicity from sediment chemistry by partial least squares-discriminant analysis and counter-propagation artificial neural networks.

José Manuel Amigo, Rasmus Bro, Davide Ballabio, 2010, Environmental pollution.

A MATLAB toolbox for multivariate regression coupled with variable selection

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2021 .

Capsaicinoids in Chili Habanero by Flow Injection with Coulometric Array Detection

D. Ballabio, M. Scampicchio, K. Morozova, 2019, Electroanalysis.

ToF-SIMS and machine learning for single-pixel molecular discrimination of an acrylate polymer microarray.

D. Ballabio, M. Alexander, A. Hook, 2020, Analytical chemistry.

Comments on the Definition of the Q2 Parameter for QSAR Validation

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2009, J. Chem. Inf. Model..

Oxygen Consumption in South African Sauvignon Blanc Wines: Role of Glutathione, Sulphur Dioxide and Certain Phenolics

D. Ballabio, D. Fracassetti, W. D. Toit, 2016 .

Chemical profiling and multivariate data fusion methods for the identification of the botanical origin of honey.

Marco Orlandi, Davide Ballabio, Francesca Grisoni, 2018, Food chemistry.

Amperometric electronic tongue for food analysis

Davide Ballabio, Saverio Mannino, Matteo Scampicchio, 2008 .

Multivariate comparison of classification performance measures

Davide Ballabio, Francesca Grisoni, Roberto Todeschini, 2017 .

A MATLAB toolbox for Self Organizing Maps and supervised neural network learning strategies

Mahdi Vasighi, Davide Ballabio, D. Ballabio, 2012 .

Genetic Algorithms for architecture optimisation of Counter-Propagation Artificial Neural Networks

Mahdi Vasighi, Davide Ballabio, Viviana Consonni, 2011 .

A QSTR-Based Expert System to Predict Sweetness of Molecules

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2017, Front. Chem..

Quantitative structure–activity relationships to predict sweet and non-sweet tastes

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2016, Theoretical Chemistry Accounts.

QSPR STUDY OF RHEOLOGICAL AND MECHANICAL PROPERTIES OF CHLOROPRENE RUBBER ACCELERATORS

R. Todeschini, D. Ballabio, V. Consonni, 2014 .

Evaluation of model predictive ability by external validation techniques

Davide Ballabio, Roberto Todeschini, Viviana Consonni, 2010 .

Multi-method Approach to Trace the Geographical Origin of Alpine Milk: a Case Study of Tyrol Region

D. Ballabio, C. Huck, T. Mimmo, 2016, Food Analytical Methods.

Application of DNA mini-barcoding and infrared spectroscopy for the authentication of the Italian product “bottarga”

D. Ballabio, V. Consonni, P. Galli, 2020 .

CATMoS: Collaborative Acute Toxicity Modeling Suite

Kimberley M. Zorn, Daniel P. Russo, Timothy E. H. Allen, 2021, Environmental health perspectives.

Locally centred Mahalanobis distance: a new distance measure with salient features towards outlier detection.

Peter Filzmoser, Roberto Todeschini, Faizan Sahigara, 2013, Analytica chimica acta.

Particle size, chemical composition, seasons of the year and urban, rural or remote site origins as determinants of biological effects of particulate matter on pulmonary cells.

D. Ballabio, V. Consonni, G. Sangiorgi, 2013, Environmental pollution.

Condensed Phase Membrane Introduction Mass Spectrometry: A Direct Alternative to Fully Exploit the Mass Spectrometry Potential in Environmental Sample Analysis

D. Ballabio, V. Consonni, F. Gosetti, 2023, Separations.

Beware of Unreliable Q2! A Comparative Study of Regression Metrics for Predictivity Assessment of QSAR Models

Roberto Todeschini, Davide Ballabio, Francesca Grisoni, 2016, J. Chem. Inf. Model..

Chapter 8 Multi-Criteria Decision-Making Methods: A Tool for Assessing River Ecosystem Health Using Functional Macroinvertebrate Traits

Manuela Pavan, Davide Ballabio, Valeria Mezzanotte, 2008 .

Screening oil spills by mid-IR spectroscopy and supervised pattern recognition techniques

M. P. Gómez-Carracedo, Davide Ballabio, Javier Andrade, 2012 .

Mapping of Activity through Dichotomic Scores (MADS): A new chemoinformatic approach to detect activity‐rich structural regions

Davide Ballabio, Roberto Todeschini, Viviana Consonni, 2018 .

Prediction of Italian red wine sensorial descriptors from electronic nose, electronic tongue and spectrophotometric measurements by means of Genetic Algorithm regression models

Davide Ballabio, Simona Benedetti, Susanna Buratti, 2007 .

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Ruili Huang, Scott Boyer, Xin Hu, 2020, Environmental health perspectives.

Diabetes mellitus type 2: Exploratory data analysis based on clinical reading

V. Simeonov, D. Ballabio, J. Romanova, 2020, Open Chemistry.

SOM-RPM for the accurate visualization of high-dimensional hyperspectral data.

D. Ballabio, D. Winkler, P. Pigram, 2020, Analytical chemistry.

Exploring the Relationship between Polymer Surface Chemistry and Bacterial Attachment Using ToF‐SIMS and Self‐Organizing maps

Andrew L. Hook, D. Ballabio, M. Alexander, 2023, Advanced Materials Interfaces.

Self-Organizing Map and Relational Perspective Mapping for the Accurate Visualization of High-Dimensional Hyperspectral Data

D. Ballabio, D. Winkler, P. Pigram, 2020 .

Analyzing 3D hyperspectral TOF-SIMS depth profile data using self-organizing map-relational perspective mapping.

D. Ballabio, D. Winkler, P. Pigram, 2020, Biointerphases.

Quantitative Structure − Activity Relationship Models for Ready Biodegradability of Chemicals

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2013 .

Traceability of soybeans produced in Argentina based on their trace element profiles

Melisa J. Hidalgo, Diana C. Fechner, D. Ballabio, 2020, Journal of Chemometrics.

Molecular Descriptors for Structure-Activity Applications: A Hands-On Approach.

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2018, Methods in molecular biology.

Comparison of Different Approaches to Define the Applicability Domain of QSAR Models

Roberto Todeschini, Faizan Sahigara, Davide Ballabio, 2012, Molecules.

NMR spectroscopy and chemometric models to detect a specific non-porcine ruminant contaminant in pharmaceutical heparin.

D. Ballabio, E. Yates, T. Rudd, 2022, Journal of pharmaceutical and biomedical analysis.

ChemTastesDB: A curated database of molecular tastants

D. Ballabio, C. Rojas, Elisa Pacheco Jaramillo, 2022, Food chemistry. Molecular sciences.

N3 and BNN: Two New Similarity Based Classification Methods in Comparison with Other Classifiers

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2015, J. Chem. Inf. Model..

K-CM: a new artificial neural network. Application to supervised pattern recognition

Massimo Buscema, Marco Breda, Roberto Todeschini, 2014 .

Deep Ranking Analysis by Power Eigenvectors (DRAPE): A polypharmacology case study

Davide Ballabio, Viviana Consonni, Roberto Todeschini, 2020 .

Deep Ranking Analysis by Power Eigenvectors (DRAPE): A wizard for ranking and multi-criteria decision making

Davide Ballabio, Francesca Grisoni, Roberto Todeschini, 2019, Chemometrics and Intelligent Laboratory Systems.

Oblique rotation of factors: a novel pattern recognition strategy to classify fluorescence excitation-emission matrices of human blood plasma for early diagnosis of colorectal cancer.

Mahdi Vasighi, Davide Ballabio, Mohsen Kompany-Zareh, 2016, Molecular bioSystems.

Parsimonious Optimization of Multitask Neural Network Hyperparameters

R. Todeschini, D. Ballabio, V. Consonni, 2021, Molecules.

Integrated QSAR Models to Predict Acute Oral Systemic Toxicity

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2018, Molecular informatics.

R Todeschini, M Cassotti, R. Todeschini, 2015, SAR and QSAR in environmental research (Print).

Recent Advances in High-Level Fusion Methods to Classify Multiple Analytical Chemical Data

Davide Ballabio, Roberto Todeschini, Viviana Consonni, 2019, Data Handling in Science and Technology.

Relationships between apple texture and rheological parameters by means of multivariate analysis

Fabrizio Costa, Davide Ballabio, Viviana Consonni, 2012 .

Classification-based machine learning approaches to predict the taste of molecules: A review.

R. Todeschini, D. Ballabio, V. Consonni, 2023, Food research international.

Distances and Other Dissimilarity Measures in Chemometrics

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2015 .

Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions

Roberto Todeschini, Faizan Sahigara, Davide Ballabio, 2013, Journal of Cheminformatics.

Validation and extension of a similarity-based approach for prediction of acute aquatic toxicity towards Daphnia magna

M Cassotti, D. Ballabio, V. Consonni, 2014, SAR and QSAR in environmental research.

Prediction of Acute Aquatic Toxicity toward Daphnia Magna by using the GA-kNN Method

Roberto Todeschini, Igor V Tetko, Davide Ballabio, 2014, Alternatives to laboratory animals : ATLA.

On the application of chemometrics for the study of acoustic-mechanical properties of crispy bakery products

Davide Ballabio, Laura Piazza, J. Gigli, 2007 .

Qualitative consensus of QSAR ready biodegradability predictions

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2016 .

Consensus versus Individual QSARs in Classification: Comparison on a Large-Scale Case Study

Davide Ballabio, Viviana Consonni, Francesca Grisoni, 2020, J. Chem. Inf. Model..

Machine Learning Consensus To Predict the Binding to the Androgen Receptor within the CoMPARA Project

Davide Ballabio, Viviana Consonni, Francesca Grisoni, 2019, J. Chem. Inf. Model..

Towards Global QSAR Model Building for Acute Toxicity: Munro Database Case Study

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2014, International journal of molecular sciences.

Classification of GC‐MS measurements of wines by combining data dimension reduction and variable selection techniques

Rasmus Bro, Riccardo Leardi, Davide Ballabio, 2008 .

Structural alerts for the identification of bioaccumulative compounds

Davide Ballabio, Viviana Consonni, Francesca Grisoni, 2018, Integrated environmental assessment and management.

Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite

Stephen P. Boyd, Kimberley M. Zorn, Daniel P. Russo, 2021, Environmental health perspectives.

Characterization of pyrite weathering products by Raman hyperspectral imaging and chemometrics techniques

J. Amigo, D. Ballabio, F. Gosetti, 2023, Microchemical Journal.

Introduction to MOLE DB - on-line Molecular Descriptors Database

Davide Ballabio, Roberto Todeschini, Viviana Consonni, 2009 .

On the Misleading Use of QF32 for QSAR Model Comparison

Roberto Todeschini, Davide Ballabio, Viviana Consonni, 2018, Molecular informatics.

Assessing the validity of QSARs for ready biodegradability of chemicals: an applicability domain perspective.

Roberto Todeschini, Faizan Sahigara, Davide Ballabio, 2014, Current computer-aided drug design.

Characterization of the traditional Cypriot spirit Zivania by means of Counterpropagation Artificial Neural Networks

Davide Ballabio, Roberto Todeschini, Rebecca Kokkinofta, 2007 .

Oblique rotation of factors: a novel pattern recognition strategy to classify fluorescence excitation-emission matrices of human blood plasma for early diagnosis of colorectal cancer.

D. Ballabio, Mahdi Vasighi, M. Kompany‐Zareh, 2016, Molecular bioSystems.

Expanding Antineoplastic Drugs Surface Monitoring Profiles: Enhancing of Zwitterionic Hydrophilic Interaction Methods

D. Ballabio, V. Consonni, F. Gosetti, 2022, Separations.

Predicting molecular activity on nuclear receptors by multitask neural networks

Davide Ballabio, Viviana Consonni, Francesca Grisoni, 2020, Journal of Chemometrics.

NURA: A curated dataset of nuclear receptor modulators.

Davide Ballabio, Francesca Grisoni, Laura Bonati, 2020, Toxicology and applied pharmacology.