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
Drug discovery with explainable artificial intelligence
J Jiménez-Luna*, F Grisoni*, G Schneider
Nature Machine Intelligence 2 (10), 573-584, 2020
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
CoMPARA: collaborative modeling project for androgen receptor activity
K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ...
Environmental health perspectives 128 (2), 027002, 2020
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
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
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
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
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
Generative molecular design in low data regimes
M Moret, L Friedrich, F Grisoni, D Merk, G Schneider
Nature Machine Intelligence 2 (3), 171-180, 2020
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
Bidirectional molecule generation with recurrent neural networks
F Grisoni, M Moret, R Lingwood, G Schneider
Journal of chemical information and modeling 60 (3), 1175-1183, 2020
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
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
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
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
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 algorithm: an efficient approach to variable selection
M Cassotti, F Grisoni, R Todeschini
Chemometrics and Intelligent Laboratory Systems 133, 136-148, 2014
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Artikler 1–20