TODESCHINI, ROBERTO
TODESCHINI, ROBERTO
DIPARTIMENTO DI SCIENZE DELL'AMBIENTE E DELLA TERRA (DEPARTMENT OF EARTH AND ENVIRONMENTAL SCIENCES - DISAT)
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
Kernel-based mapping of reliability in predictions for consensus modelling
2024 Consonni, V; Todeschini, R; Orlandi, M; Ballabio, D
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
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
Multitask Learning for Quantitative Structure–Activity Relationships: A Tutorial
2023 Valsecchi, C; Grisoni, F; Consonni, V; Ballabio, D; Todeschini, R
Evaluation of classification performances of minimum spanning trees by 13 different metrics
2022 Todeschini, R; Valsecchi, C
Identification of Photodegradation Products of Escitalopram in Surface Water by HPLC-MS/MS and Preliminary Characterization of Their Potential Impact on the Environment
2022 Termopoli, V; Consonni, V; Ballabio, D; Todeschini, R; Orlandi, M; Gosetti, F
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
Predicting molecular activity on nuclear receptors by multitask neural networks
2022 Valsecchi, C; Collarile, M; Grisoni, F; Todeschini, R; Ballabio, D; Consonni, V
A MATLAB toolbox for multivariate regression coupled with variable selection
2021 Consonni, V; Baccolo, G; Gosetti, F; Todeschini, R; Ballabio, D
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
Deep ranking analysis by power eigenvectors (DRAPE): A study on the human, environmental and economic wellbeing of 154 countries
2021 Valsecchi, C; Todeschini, R
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
Nuclear receptor modulators: Catching information by 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
Predicting molecular activity on nuclear receptors with deep and machine learning
2021 Valsecchi, C; Grisoni, F; Consonni, V; Ballabio, D; Todeschini, R
4.25 - Chemometrics for QSAR Modeling
2020 Todeschini, R; Consonni, V; Ballabio, D; Grisoni, F
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
2020 Mansouri, K; Kleinstreuer, N; Abdelaziz, A; Alberga, D; Alves, V; Andersson, P; Andrade, C; Bai, F; Balabin, I; Ballabio, D; Benfenati, E; Bhhatarai, B; Boyer, S; Chen, J; Consonni, V; Farag, S; Fourches, D; García-Sosa, A; Gramatica, P; Grisoni, F; Grulke, C; Hong, H; Horvath, D; Hu, X; Huang, R; Jeliazkova, N; Li, J; Li, X; Liu, H; Manganelli, S; Mangiatordi, G; Maran, U; Marcou, G; Martin, T; Muratov, E; Nguyen, D; Nicolotti, O; Nikolov, N; Norinder, U; Papa, E; Petitjean, M; Piir, G; Pogodin, P; Poroikov, V; Qiao, X; Richard, A; Roncaglioni, A; Ruiz, P; Rupakheti, C; Sakkiah, S; Sangion, A; Schramm, K; Selvaraj, C; Shah, I; Sild, S; Sun, L; Taboureau, O; Tang, Y; Tetko, I; Todeschini, R; Tong, W; Trisciuzzi, D; Tropsha, A; Van Den Driessche, G; Varnek, A; Wang, Z; Wedebye, E; Williams, A; Xie, H; Zakharov, A; Zheng, Z; Judson, R