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List of works by Davide Ballabio

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

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

article published in 2012

A QSTR-Based Expert System to Predict Sweetness of Molecules

scientific article published on 25 July 2017

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

scientific article

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

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

article

A novel variable reduction method adapted from space-filling designs

scholarly article by Davide Ballabio et al published August 2014 in Chemometrics and Intelligent Laboratory Systems

A similarity-based QSAR model for predicting acute toxicity towards the fathead minnow (Pimephales promelas).

scientific article published in January 2015

Amperometric electronic tongue for food analysis

Applications of Self-Organizing Maps to Address Environmental Studies

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

scientific article published on 15 September 2016

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

CATMoS: Collaborative Acute Toxicity Modeling Suite

scientific article published in April 2021

Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data Part 2. Variable reduction

scientific article published on 21 June 2009

Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data. Part 1. Theory and simple chemometric applications

scientific article published on 21 June 2009

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

scientific article

Chapter 5 Similarity/Diversity Measure for Sequential Data Based on Hasse Matrices

Chapter 8 Multi-Criteria Decision-Making Methods

Chapter 9 The DART (Decision Analysis by Ranking Techniques) Software

article

Characterization of DNA primary sequences by a new similarity/diversity measure based on the partial ordering.

scientific article

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

scholarly article by Davide Ballabio et al published May 2007 in Chemometrics and Intelligent Laboratory Systems

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

article published in 2018

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

scientific article published on 27 March 2012

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

article by Davide Ballabio et al published August 2008 in Journal of Chemometrics

Classification of ancient Etruscan ceramics using statistical multivariate analysis of data

article published in 2004

Classification of multiway analytical data based on MOLMAP approach

scientific article

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

article

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

scientific article published on 01 January 2018

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

scientific article published on 07 February 2020

Comments on the Definition of theQ2Parameter for QSAR Validation

scientific article published on 01 July 2009

Comparing roadsoils pollution patterns extracted by MOLMAP and classical three-way decomposition methods

scientific article published on 6 August 2010

Comparison of different approaches to define the applicability domain of QSAR models.

scientific article published on 25 April 2012

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

scientific article published on 02 March 2020

Dairy cream response in instrumental texture evaluation processed by multivariate analysis

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

scientific article published in August 2019

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

scientific article published on 30 May 2013

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

scientific article published on 13 September 2009

Effects of supervised Self Organising Maps parameters on classification performance

scientific article published on 24 December 2012

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

Evaluation of model predictive ability by external validation techniques

article

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

scholarly article by Davide Ballabio et al published January 2011 in Chemometrics and Intelligent Laboratory Systems

Geographical Characterization of Olive Oil by Means of Multivariate Classification

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

scientific article published on 27 April 2006

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

scientific article published on 21 January 2020

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

scholarly article by Maria Stella Cosio et al published May 2006 in Analytica Chimica Acta

Impact of medium-distance pollution sources in a Galician suburban site (NW Iberian peninsula).

scientific article published on 20 January 2015

Integrated QSAR Models to Predict Acute Oral Systemic Toxicity

article

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

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

scholarly article by Massimo Buscema et al published November 2014 in Chemometrics and Intelligent Laboratory Systems

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

scientific article published on 27 April 2013

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

scientific article published on 11 February 2019

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

scholarly article by Roberto Todeschini et al published 18 January 2018 in Journal of Chemometrics

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

scientific article (publication date: 22 September 2016)

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

scientific article published on 01 January 2018

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

scientific article

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

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

scientific article

Multivariate Classification for Qualitative Analysis

Multivariate comparison of classification performance measures

scholarly article by Davide Ballabio et al published March 2018 in Chemometrics and Intelligent Laboratory Systems

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

scientific article

NURA: A curated dataset of nuclear receptor modulators

scientific article published on 19 September 2020

Nonlinear classification of commercial Mexican tequilas

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

scientific article published on 14 April 2016

On the Misleading Use of QF32 for QSAR Model Comparison

scientific article published on 24 August 2018

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

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

scientific article published on 26 February 2013

Predicting molecular activity on nuclear receptors by multitask neural networks

scientific article published on 9 December 2020

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

article

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

scholarly article by Agustín Herrera et al published August 2017 in Chemometrics and Intelligent Laboratory Systems

QSPR STUDY OF RHEOLOGICAL AND MECHANICAL PROPERTIES OF CHLOROPRENE RUBBER ACCELERATORS

Qualitative consensus of QSAR ready biodegradability predictions

article

Quantitative Structure–Activity Relationship Models for Ready Biodegradability of Chemicals ⬇️

scientific article published on March 27, 2013

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

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

article by Davide Ballabio et al published February 2012 in Chemometrics and Intelligent Laboratory Systems

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

scholarly article by M.P. Gómez-Carracedo et al published May 2012 in Chemometrics and Intelligent Laboratory Systems

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

scientific article

Structural alerts for the identification of bioaccumulative compounds

scientific article published on 11 September 2018

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

scholarly article by Davide Ballabio et al published October 2009 in Chemometrics and Intelligent Laboratory Systems

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

scientific article published on 29 April 2015

ToF-SIMS and Machine Learning for Single-Pixel Molecular Discrimination of an Acrylate Polymer Microarray

scientific article published on 13 April 2020

Towards global QSAR model building for acute toxicity: Munro database case study

scientific article

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

scientific article published on 6 December 2014

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