Francesca Grisoni
Citeret af
Citeret af
CERAPP: collaborative estrogen receptor activity prediction project
K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ...
Environmental health perspectives 124 (7), 1023-1033, 2016
De Novo Design of Bioactive Small Molecules by Artificial Intelligence
D Merk, L Friedrich, F Grisoni, G Schneider
Molecular informatics 37 (1-2), 1700153, 2018
Multivariate comparison of classification performance measures
D Ballabio, F Grisoni, R Todeschini
Chemometrics and Intelligent Laboratory Systems 174, 33-44, 2018
Beware of Unreliable Q2! A Comparative Study of Regression Metrics for Predictivity Assessment of QSAR Models
R Todeschini, D Ballabio, F Grisoni
Journal of chemical information and modeling 56 (10), 1905-1913, 2016
In silico prediction of cytochrome P450-drug interaction: QSARs for CYP3A4 and CYP2C9
S Nembri, F Grisoni, V Consonni, R Todeschini
International journal of molecular sciences 17 (6), 914, 2016
QSAR models for bioconcentration: is the increase in the complexity justified by more accurate predictions?
F Grisoni, V Consonni, S Villa, M Vighi, R Todeschini
Chemosphere 127, 171-179, 2015
Tuning artificial intelligence on the de novo design of natural-product-inspired retinoid X receptor modulators
D Merk, F Grisoni, L Friedrich, G Schneider
Communications Chemistry 1 (1), 1-9, 2018
Chemical profiling and multivariate data fusion methods for the identification of the botanical origin of honey
D Ballabio, E Robotti, F Grisoni, F Quasso, M Bobba, S Vercelli, F Gosetti, ...
Food chemistry 266, 79-89, 2018
Designing anticancer peptides by constructive machine learning
F Grisoni, CS Neuhaus, G Gabernet, AT Müller, JA Hiss, G Schneider
ChemMedChem 13 (13), 1300-1302, 2018
Expert QSAR system for predicting the bioconcentration factor under the REACH regulation
F Grisoni, V Consonni, M Vighi, S Villa, R Todeschini
Environmental research 148, 507-512, 2016
Scaffold hopping from natural products to synthetic mimetics by holistic molecular similarity
F Grisoni, D Merk, V Consonni, JA Hiss, SG Tagliabue, R Todeschini, ...
Communications Chemistry 1 (1), 1-9, 2018
Computer-assisted discovery of retinoid X receptor modulating natural products and isofunctional mimetics
D Merk, F Grisoni, L Friedrich, E Gelzinyte, G Schneider
Journal of medicinal chemistry 61 (12), 5442-5447, 2018
A new concept of higher-order similarity and the role of distance/similarity measures in local classification methods
R Todeschini, D Ballabio, V Consonni, F Grisoni
Chemometrics and Intelligent Laboratory Systems 157, 50-57, 2016
Matrix‐based molecular descriptors for prospective virtual compound screening
F Grisoni, D Reker, P Schneider, L Friedrich, V Consonni, R Todeschini, ...
Molecular informatics 36 (1-2), 1600091, 2017
Investigating the mechanisms of bioconcentration through QSAR classification trees
F Grisoni, V Consonni, M Vighi, S Villa, R Todeschini
Environment international 88, 198-205, 2016
Reshaped Sequential Replacement algorithm: An efficient approach to variable selection
M Cassotti, F Grisoni, R Todeschini
Chemometrics and Intelligent Laboratory Systems 133, 136-148, 2014
A QSTR-based expert system to predict sweetness of molecules
C Rojas, R Todeschini, D Ballabio, A Mauri, V Consonni, P Tripaldi, ...
Frontiers in chemistry 5, 53, 2017
Reshaped Sequential Replacement for variable selection in QSPR: comparison with other reference methods
F Grisoni, M Cassotti, R Todeschini
Journal of Chemometrics 28 (4), 249-259, 2014
Weighted power–weakness ratio for multi-criteria decision making
R Todeschini, F Grisoni, S Nembri
Chemometrics and Intelligent Laboratory Systems 146, 329-336, 2015
How to weight Hasse matrices and reduce incomparabilities
F Grisoni, V Consonni, S Nembri, R Todeschini
Chemometrics and Intelligent Laboratory Systems 147, 95-104, 2015
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Artikler 1–20