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Multitask Learning for Quantitative Structure–Activity Relationships: A Tutorial
2023 Valsecchi, C; Grisoni, F; Consonni, V; Ballabio, D; Todeschini, R
Authenticity and Chemometrics Basics
2023 Consonni, V; Todeschini, R; Gosetti, F; Ballabio, D
Condensed Phase Membrane Introduction Mass Spectrometry: A Direct Alternative to Fully Exploit the Mass Spectrometry Potential in Environmental Sample Analysis
2023 Termopoli, V; Piergiovanni, M; Ballabio, D; Consonni, V; Cruz Muñoz, E; Gosetti, F
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
2023 Gosetti, F; Consonni, V; Ballabio, D; Orlandi, M; Amodio, A; Valeria Picci, M; Visentin, M; Termopoli, V
Classification-based Machine Learning Approaches to Predict the Taste of Molecules: A Review
2023 Rojas, C; Ballabio, D; Consonni, V; Suárez-Estrella, D; Todeschini, R
Characterization of pyrite weathering products by Raman hyperspectral imaging and chemometrics techniques
2023 Muñoz, E; Gosetti, F; Ballabio, D; Ando, S; Gómez-Laserna, O; Amigo, J; Garzanti, E
Exploring the Relationship between Polymer Surface Chemistry and Bacterial Attachment Using ToF-SIMS and Self-Organizing maps
2023 Wong, S; Hook, A; Gardner, W; Chang, C; Mei, Y; Davies, M; Williams, P; Alexander, M; Ballabio, D; Muir, B; Winkler, D; Pigram, P
Enhanced Visualization and Interpretation of XMCD-PEEM Data Using SOM-RPM Machine Learning
2023 Wong, S; Harmer, S; Gardner, W; Schenk, A; Ballabio, D; Pigram, P
Chemical space and Molecular Descriptors for QSAR studies
2023 Consonni, V; Ballabio, D; Todeschini, R
Comparison of machine learning approaches for the classification of elution profiles
2023 Baccolo, G; Yu, H; Valsecchi, C; Ballabio, D; Bro, R
Effect of data preprocessing and machine learning hyperparameters on mass spectrometry imaging models
2023 Gardner, W; Winkler, D; Alexander, D; Ballabio, D; Muir, B; Pigram, P
Chemometrics approaches for the automatic analysis of metabolomics GC-MS data
2022 Baccolo, G
Advancing the prediction of Nuclear Receptor modulators through machine learning methods
2022 Valsecchi, C
Evaluation of the predictivity of Acute Oral Toxicity (AOT) structure-activity relationship models
2022 Gromek, K; Hawkins, W; Dunn, Z; Gawlik, M; Ballabio, D
ChemTastesDB: A curated database of molecular tastants
2022 Rojas, C; Ballabio, D; Pacheco Sarmiento, K; Pacheco Jaramillo, E; Mendoza, M; García, F
Improving bitter pit prediction by the use of X-ray fluorescence (XRF): A new approach by multivariate classification
2022 Moggia, C; Bravo, M; Baettig, R; Valdés, M; Romero-Bravo, S; Zúñiga, M; Cornejo, J; Gosetti, F; Ballabio, D; Cabeza, R; Beaudry, R; Lobos, G
NMR spectroscopy and chemometric models to detect a specific non-porcine ruminant contaminant in pharmaceutical heparin
2022 Colombo, E; Mauri, L; Marinozzi, M; Rudd, T; Yates, E; Ballabio, D; Guerrini, M
Expanding Antineoplastic Drugs Surface Monitoring Profiles: Enhancing of Zwitterionic Hydrophilic Interaction Methods
2022 Dugheri, S; Mucci, N; Squillaci, D; Bucaletti, E; Cappelli, G; Trevisani, L; Valsecchi, C; Consonni, V; Gosetti, F; Ballabio, D; Arcangeli, G
NMR-driven identification of cinnamon bud and bark components with anti-Aβ activity
2022 Ciaramelli, C; Palmioli, A; Angotti, I; Colombo, L; De Luigi, A; Sala, G; Salmona, M; Airoldi, C
4-Hydroxybenzoic Acid as an Antiviral Product from Alkaline Autoxidation of Catechinic Acid: A Fact to Be Reviewed
2022 Alfei, S; Caviglia, D; Penco, S; Zuccari, G; Gosetti, F
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