Sfoglia per Autore
Scaffold hopping from natural products to synthetic mimetics by holistic molecular similarity
2018 Grisoni, F; Merk, D; Consonni, V; Hiss, J; Giani Tagliabue, S; Todeschini, R; Schneider, G
Multivariate comparison of classification performance measures
2018 Ballabio, D; Grisoni, F; Todeschini, R
De Novo Design of Bioactive Small Molecules by Artificial Intelligence
2018 Merk, D; Friedrich, L; Grisoni, F; Schneider, G
Detecting the bioaccumulation patterns of chemicals through data-driven approaches
2018 Grisoni, F; Consonni, V; Vighi, M
Impact of Molecular Descriptors on Computational Models
2018 Grisoni, F; Consonni, V; Todeschini, R
Designing synthetically accessible natural product mimetics by machine learning
2018 Schneider, G; Friedrich, L; Grisoni, F; Merk, D
Computer-Assisted Discovery of Retinoid X Receptor Modulating Natural Products and Isofunctional Mimetics
2018 Merk, D; Grisoni, F; Friedrich, L; Gelzinyte, E; Schneider, G
Designing Anticancer Peptides by Constructive Machine Learning
2018 Grisoni, F; Neuhaus, C; Gabernet, G; Müller, A; Hiss, J; Schneider, G
Lipophilicity prediction of peptides and peptide derivatives by consensus machine learning
2018 Fuchs, J; Grisoni, F; Kossenjans, M; Hiss, J; Schneider, G
Predictive models in ecotoxicology: Bridging the gap between scientific progress and regulatory applicability
2018 Focks, A; Grisoni, F; Barsi, A; Vighi, M
Regulatory assessment of aquatic bioaccumulation: a contribution from QSAR and chemometrics.
2017 Grisoni, F; Vighi, M; Consonni, V; Todeschini, R
A QSTR-based expert system to predict sweetness of molecules
2017 Rojas, C; Todeschini, R; Ballabio, D; Mauri, A; Consonni, V; Tripaldi, P; Grisoni, F
Matrix-based Molecular Descriptors for Prospective Virtual Compound Screening
2017 Grisoni, F; Reker, D; Schneider, P; Friedrich, L; Consonni, V; Todeschini, R; Koeberle, A; Werz, O; Schneider, G
In silico assessment of aquatic bioaccumulation: advances from chemometrics and QSAR modelling
2016 Grisoni, F
Application of the weighted Power-Weakness Ratio (wPWR) as a fusion rule in Ligand-Based virtual screening
2016 Cassotti, M; Grisoni, F; Nembri, S; Todeschini, R
A New Concept of Higher-Order Similarity and the Role of Distance/Similarity Measures in Local Classification Methods
2016 Todeschini, R; Ballabio, D; Consonni, V; Grisoni, F
Beware of Unreliable Q2! A Comparative Study of Regression Metrics for Predictivity Assessment of QSAR Models
2016 Todeschini, R; Ballabio, D; Grisoni, F
Data Fusion Strategies for Enhancing Classification Performance: a Case Study on Cytochrome P450
2016 Nembri, S; Grisoni, F; Consonni, V; Ballabio, D; Todeschini, R
Classification Parameters: an Extended Multivariate Comparison
2016 Ballabio, D; Grisoni, F; Consonni, V; Todeschini, R
Preliminary studies of ultraviolet radiation over time in paint mock-ups
2016 Herrera, A; Grisoni, F; Ballabio, D; Todeschini, R; Navas, N; Cardell, C
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