Classification tools in chemistry. Part 1: Linear models. PLS-DA D Ballabio, V Consonni Analytical Methods 5, 3790-3798, 2013 | 1186 | 2013 |
Comments on the definition of the Q2 parameter for QSAR validation V Consonni, D Ballabio, R Todeschini Journal of chemical information and modeling 49 (7), 1669-1678, 2009 | 625 | 2009 |
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 | 488 | 2012 |
Evaluation of model predictive ability by external validation techniques V Consonni, D Ballabio, R Todeschini Journal of chemometrics 24 (3‐4), 194-201, 2010 | 403 | 2010 |
Multivariate comparison of classification performance measures D Ballabio, F Grisoni, R Todeschini Chemometrics and Intelligent Laboratory Systems 174, 33-44, 2018 | 273 | 2018 |
Quantitative Structure−Activity Relationship models for ready biodegradability of chemicals K Mansouri, T Ringsted, D Ballabio, R Todeschini, V Consonni Journal of Chemical Information and Modeling 53, 867–878, 2013 | 268 | 2013 |
A MATLAB toolbox for Principal Component Analysis and unsupervised exploration of data structure D Ballabio Chemometrics and Intelligent Laboratory Systems 149, 1-9, 2015 | 214 | 2015 |
Evaluation of different storage conditions of extra virgin olive oils with an innovative recognition tool built by means of electronic nose and electronic tongue MS Cosio, D Ballabio, S Benedetti, C Gigliotti Food Chemistry 101 (2), 485-491, 2007 | 204 | 2007 |
Prediction of Italian red wine sensorial descriptors from electronic nose, electronic tongue and spectrophotometric measurements by means of Genetic Algorithm regression models S Buratti, D Ballabio, S Benedetti, MS Cosio Food Chemistry 100 (1), 211-218, 2007 | 198 | 2007 |
Geographical origin and authentication of extra virgin olive oils by an electronic nose in combination with artificial neural networks MS Cosio, D Ballabio, S Benedetti, C Gigliotti Analytica Chimica Acta 567 (2), 202-210, 2006 | 195 | 2006 |
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 MG Perrone, M Gualtieri, V Consonni, L Ferrero, G Sangiorgi, E Longhin, ... Environmental Pollution 176, 215-227, 2013 | 173 | 2013 |
Multivariate Classification for Qualitative Analysis D Ballabio, R Todeschini Infrared Spectroscopy for Food Quality Analysis and Control, 83-104, 2009 | 163 | 2009 |
A MATLAB Toolbox for Self Organizing Maps and supervised neural network learning strategies D Ballabio, M Vasighi Chemometrics and intelligent laboratory systems 118, 24-32, 2012 | 162 | 2012 |
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity Environmental Health Perspectives 128 (2), 027002, 2020 | 143 | 2020 |
The Kohonen and CP-ANN toolbox: a collection of MATLAB modules for self organizing maps and counterpropagation artificial neural networks D Ballabio, V Consonni, R Todeschini Chemometrics and intelligent laboratory systems 98 (2), 115-122, 2009 | 137 | 2009 |
Monitoring of alcoholic fermentation using near infrared and mid infrared spectroscopies combined with electronic nose and electronic tongue S Buratti, D Ballabio, G Giovanelli, CM Zuluaga Dominguez, A Moles, ... Analytica chimica acta 697 (1-2), 67-74, 2011 | 122 | 2011 |
Novel molecular descriptors based on functions of new vertex degrees R Todeschini, D Ballabio, V Consonni Novel Molecular Structure Descriptors - Theory and Applications I, 73-100, 2010 | 112 | 2010 |
Beware of unreliable Q2! A comparative study of regression metrics for predictivity assessment of QSAR models R Todeschini, D Ballabio, F Grisoni Journal of Chemical Information and Modeling 50, 1905-1913, 2016 | 110 | 2016 |
Amperometric electronic tongue for food analysis M Scampicchio, D Ballabio, A Arecchi, SM Cosio, S Mannino Microchimica Acta 163, 11-21, 2008 | 110 | 2008 |
Locally centred Mahalanobis distance: A new distance measure with salient features towards outlier detection R Todeschini, D Ballabio, V Consonni, F Sahigara, P Filzmoser Analytica Chimica Acta 787, 1-9, 2013 | 105 | 2013 |