Sfoglia per Autore
Evaluation of the predictivity of Acute Oral Toxicity (AOT) structure-activity relationship models
2022 Gromek, K; Hawkins, W; Dunn, Z; Gawlik, M; Ballabio, D
Response Surface Methodology Approach to Evaluate the Effect of Transition Metals and Oxygen on Photo-Degradation of Methionine in a Model Wine System Containing Riboflavin
2022 Fracassetti, D; Ballabio, D; Mastro, M; Tirelli, A; Jeffery, D
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
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
A MATLAB toolbox for multivariate regression coupled with variable selection
2021 Consonni, V; Baccolo, G; Gosetti, F; Todeschini, R; Ballabio, D
Predicting molecular activity on nuclear receptors with deep and machine learning
2021 Valsecchi, C; Grisoni, F; Consonni, V; Ballabio, D; Todeschini, R
Parsimonious optimization of multitask neural network hyperparameters
2021 Valsecchi, C; Consonni, V; Todeschini, R; Orlandi, M; Gosetti, F; Ballabio, D
Enhanced LC-MS/MS spectra matching through multitask neural networks and molecular fingerprints
2021 Valsecchi, C; Baccolo, G; Caserta, M; Barbagallo, M; Gosetti, F; Consonni, V; Ballabio, D; Todeschini, R
Application of DNA mini-barcoding and infrared spectroscopy for the authentication of the Italian product "Bottarga"
2021 Frigerio, J; Marchesi, C; Magoni, C; Saliu, F; Ballabio, D; Consonni, V; Gorini, T; DE MATTIA, F; Galli, P; Labra, M
Nuclear receptor modulators: Catching information by machine learning
2021 Valsecchi, C; Grisoni, F; Consonni, V; Ballabio, D; Todeschini, R
CATMoS: Collaborative Acute Toxicity Modeling Suite
2021 Mansouri, K; Karmaus, A; Fitzpatrick, J; Patlewicz, G; Pradeep, P; Alberga, D; Alepee, N; Allen, T; Allen, D; Alves, V; Andrade, C; Auernhammer, T; Ballabio, D; Bell, S; Benfenati, E; Bhattacharya, S; Bastos, J; Boyd, S; Brown, J; Capuzzi, S; Chushak, Y; Ciallella, H; Clark, A; Consonni, V; Daga, P; Ekins, S; Farag, S; Fedorov, M; Fourches, D; Gadaleta, D; Gao, F; Gearhart, J; Goh, G; Goodman, J; Grisoni, F; Grulke, C; Hartung, T; Hirn, M; Karpov, P; Korotcov, A; Lavado, G; Lawless, M; Li, X; Luechtefeld, T; Lunghini, F; Mangiatordi, G; Marcou, G; Marsh, D; Martin, T; Mauri, A; Muratov, E; Myatt, G; Nguyen, D; Nicolotti, O; Note, R; Pande, P; Parks, A; Peryea, T; Polash, A; Rallo, R; Roncaglioni, A; Rowlands, C; Ruiz, P; Russo, D; Sayed, A; Sayre, R; Sheils, T; Siegel, C; Silva, A; Simeonov, A; Sosnin, S; Southall, N; Strickland, J; Tang, Y; Teppen, B; Tetko, I; Thomas, D; Tkachenko, V; Todeschini, R; Toma, C; Tripodi, I; Trisciuzzi, D; Tropsha, A; Varnek, A; Vukovic, K; Wang, Z; Wang, L; Waters, K; Wedlake, A; Wijeyesakere, S; Wilson, D; Xiao, Z; Yang, H; Zahoranszky-Kohalmi, G; Zakharov, A; Zhang, F; Zhang, Z; Zhao, T; Zhu, H; Zorn, K; Casey, W; Kleinstreuer, N
Geographical identification of Chianti red wine based on ICP-MS element composition
2020 Bronzi, B; Brilli, C; Beone, G; Fontanella, M; Ballabio, D; Todeschini, R; Consonni, V; Grisoni, F; Parri, F; Buscema, M
Diabetes mellitus type 2: Exploratory data analysis based on clinical reading
2020 Nedyalkova, M; Madurga, S; Ballabio, D; Robeva, R; Romanova, J; Kichev, I; Elenkova, A; Simeonov, V
NURA: A curated dataset of nuclear receptor modulators
2020 Valsecchi, C; Grisoni, F; Motta, S; Bonati, L; Ballabio, D
Distances and Similarity Measures in Chemometrics and Chemoinformatics
2020 Todeschini, R; Ballabio, D; Consonni, V
4.25 - Chemometrics for QSAR Modeling
2020 Todeschini, R; Consonni, V; Ballabio, D; Grisoni, F
Consensus versus Individual QSARs in Classification: Comparison on a Large-Scale Case Study
2020 Valsecchi, C; Grisoni, F; Consonni, V; Ballabio, D
Deep Ranking Analysis by Power Eigenvectors (DRAPE): A polypharmacology case study
2020 Valsecchi, C; Ballabio, D; Consonni, V; Todeschini, R
ToF-SIMS and Machine Learning for Single-Pixel Molecular Discrimination of an Acrylate Polymer Microarray
2020 Gardner, W; Hook, A; Alexander, M; Ballabio, D; Cutts, S; Muir, B; Pigram, P
Traceability of soybeans produced in Argentina based on their trace element profiles
2020 Hidalgo, M; Fechner, D; Ballabio, D; Marchevsky, E; Pellerano, R
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