Francesca Grisoni
Francesca Grisoni
Email verificata su pharma.ethz.ch
TitoloCitata daAnno
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project
K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ...
Environmental Health Perspectives, 2016
1062016
De Novo Design of Bioactive Small Molecules by Artificial Intelligence
D Merk, L Friedrich, F Grisoni, G Schneider
Molecular Informatics, 2018
292018
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), 2016
262016
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
242016
Multivariate comparison of classification performance measures
D Ballabio, F Grisoni, R Todeschini
Chemometrics and Intelligent Laboratory Systems 174, 33-44, 2018
202018
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
192015
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
152016
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
152014
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
132017
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
132014
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
122016
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
112017
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
102016
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
92015
Weighted power–weakness ratio for multi-criteria decision making
R Todeschini, F Grisoni, S Nembri
Chemometrics and Intelligent Laboratory Systems 146, 329-336, 2015
92015
Designing anticancer peptides by constructive machine learning
F Grisoni, CS Neuhaus, G Gabernet, AT MŘller, JA Hiss, G Schneider
ChemMedChem 13 (13), 1300-1302, 2018
82018
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, 2018
82018
Scaffold hopping from synthetic RXR modulators by virtual screening and de novo design
D Merk, F Grisoni, L Friedrich, E Gelzinyte, G Schneider
MedChemComm, 2018
72018
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), 44, 2018
52018
Application of the Weighted Power-Weakness Ratio (wPWR) as a Fusion Rule in Ligand–Based Virtual Screening
M Cassotti, F Grisoni, S Nembri, R Todeschini
MATCH Commun. Math. Comput. Chem. 76 (2), 359-376, 2016
52016
Il sistema al momento non pu˛ eseguire l'operazione. Riprova pi¨ tardi.
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