Sfoglia per Autore
Artificial Intelligence and Machine Learning Methods to Evaluate Cardiotoxicity following the Adverse Outcome Pathway Frameworks
2024 Viganò, E; Ballabio, D; Roncaglioni, A
Kernel-based mapping of reliability in predictions for consensus modelling
2024 Consonni, V; Todeschini, R; Orlandi, M; Ballabio, D
Effectiveness of molecular fingerprints for exploring the chemical space of natural products
2024 Boldini, D; Ballabio, D; Consonni, V; Todeschini, R; Grisoni, F; Sieber, S
Extended multivariate comparison of 68 cluster validity indices. A review
2024 Todeschini, R; Ballabio, D; Termopoli, V; Consonni, V
Multitask Learning for Quantitative Structure–Activity Relationships: A Tutorial
2023 Valsecchi, C; Grisoni, F; Consonni, V; Ballabio, D; Todeschini, 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
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
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
Comparison of machine learning approaches for the classification of elution profiles
2023 Baccolo, G; Yu, H; Valsecchi, C; Ballabio, D; Bro, R
Authenticity and Chemometrics Basics
2023 Consonni, V; Todeschini, R; Gosetti, F; Ballabio, D
Chemical space and Molecular Descriptors for QSAR studies
2023 Consonni, V; Ballabio, 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
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
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
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
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
ChemTastesDB: A curated database of molecular tastants
2022 Rojas, C; Ballabio, D; Pacheco Sarmiento, K; Pacheco Jaramillo, E; Mendoza, M; García, F
Evaluation of the predictivity of Acute Oral Toxicity (AOT) structure-activity relationship models
2022 Gromek, K; Hawkins, W; Dunn, Z; Gawlik, M; Ballabio, D
Predicting molecular activity on nuclear receptors by multitask neural networks
2022 Valsecchi, C; Collarile, M; Grisoni, F; Todeschini, R; Ballabio, D; Consonni, V
Multi-Task Neural Networks and Molecular Fingerprints to Enhance Compound Identification from LC-MS/MS Data
2022 Consonni, V; Gosetti, F; Termopoli, V; Todeschini, R; Valsecchi, C; Ballabio, D
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