Works matching AU Ballabio, Davide

Results: 36

Condensed Phase Membrane Introduction Mass Spectrometry: A Direct Alternative to Fully Exploit the Mass Spectrometry Potential in Environmental Sample Analysis.

Published in:

Separations (2297-8739), 2023, v. 10, n. 2, p. 139, doi. 10.3390/separations10020139

By:

Termopoli, Veronica;
Piergiovanni, Maurizio;
Ballabio, Davide;
Consonni, Viviana;
Cruz Muñoz, Emmanuel;
Gosetti, Fabio

Publication type:

Article

Identification of Photodegradation Products of Escitalopram in Surface Water by HPLC-MS/MS and Preliminary Characterization of Their Potential Impact on the Environment.

Published in:

Separations (2297-8739), 2022, v. 9, n. 10, p. N.PAG, doi. 10.3390/separations9100289

By:

Termopoli, Veronica;
Consonni, Viviana;
Ballabio, Davide;
Todeschini, Roberto;
Orlandi, Marco;
Gosetti, Fabio

Publication type:

Article

Expanding Antineoplastic Drugs Surface Monitoring Profiles: Enhancing of Zwitterionic Hydrophilic Interaction Methods.

Published in:

Separations (2297-8739), 2022, v. 9, n. 2, p. N.PAG, doi. 10.3390/separations9020034

By:

Dugheri, Stefano;
Mucci, Nicola;
Squillaci, Donato;
Bucaletti, Elisabetta;
Cappelli, Giovanni;
Trevisani, Lucia;
Valsecchi, Cecile;
Consonni, Viviana;
Gosetti, Fabio;
Ballabio, Davide;
Arcangeli, Giulio

Publication type:

Article

Integrated QSAR Models to Predict Acute Oral Systemic Toxicity.

Published in:

Molecular Informatics, 2019, v. 38, n. 8/9, p. 1, doi. 10.1002/minf.201800124

By:

Ballabio, Davide;
Grisoni, Francesca;
Consonni, Viviana;
Todeschini, Roberto

Publication type:

Article

Valorization of Side-Streams from a SSF Biorefinery Plant: Wheat Straw Lignin Purification Study.

Published in:

BioResources, 2017, v. 12, n. 1, p. 1680, doi. 10.15376/biores.12.1.1680-1696

By:

Zoia, Luca;
Salanti, Anika;
Tolppa, Eva-Lisa;
Ballabio, Davide;
Orlandi, Marco

Publication type:

Article

A New Similarity/Diversity Measure for the Characterization of DNA Sequences.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 4, p. 657

By:

Todeschini, Roberto;
Ballabio, Davide;
Consonni, Viviana;
Mauri, Andrea

Publication type:

Article

Mixtures, metabolites, ionic liquids: a new measure to evaluate similarity between complex chemical systems.

Published in:

Journal of Cheminformatics, 2016, v. 8, p. 1, doi. 10.1186/s13321-016-0159-x

By:

Mauri, Andrea;
Ballabio, Davide;
Todeschini, Roberto;
Consonni, Viviana

Publication type:

Article

Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions.

Published in:

Journal of Cheminformatics, 2013, v. 5, n. 1, p. 1, doi. 10.1186/1758-2946-5-27

By:

Sahigara, Faizan;
Ballabio, Davide;
Todeschini, Roberto;
Consonni, Viviana

Publication type:

Article

Prediction of Acute Aquatic Toxicity Toward Daphnia magna by using the GA-kNN Method.

Published in:

Alternatives to Laboratory Animals, 2014, v. 42, n. 1, p. 31, doi. 10.1177/026119291404200106

By:

Cassotti, Matteo;
Ballabio, Davide;
Consonni, Viviana;
Mauri, Andrea;
Tetko, Igor V.;
Todeschini, Roberto

Publication type:

Article

CATMoS: Collaborative Acute Toxicity Modeling Suite.

Published in:

Environmental Health Perspectives, 2021, v. 129, n. 4, p. 047013-1, doi. 10.1289/EHP8495

By:

Mansouri, Kamel;
Karmaus, Agnes L.;
Fitzpatrick, Jeremy;
Patlewicz, Grace;
Pradeep, Prachi;
Alberga, Domenico;
Alepee, Nathalie;
Allen, Timothy E. H.;
Allen, Dave;
Alves, Vinicius M.;
Auernhammer, Tyler R.;
Ballabio, Davide;
Bell, Shannon;
Benfenati, Emilio;
Bhattacharya, Sudin;
Bastos, Joyce V.;
Boyd, Stephen;
Brown, J. B.;
Capuzzi, Stephen J.;
Chushak, Yaroslav

Publication type:

Article

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.

Published in:

Environmental Health Perspectives, 2020, v. 128, n. 2, p. 027002-1, doi. 10.1289/EHP5580

By:

Mansouri, Kamel;
Kleinstreuer, Nicole;
Abdelaziz, Ahmed M.;
Alberga, Domenico;
Alves, Vinicius M.;
Andersson, Patrik L.;
Andrade, Carolina H.;
Fang Bai;
Balabin, Ilya;
Ballabio, Davide;
Benfenati, Emilio;
Bhhatarai, Barun;
Boyer, Scott;
Jingwen Chen;
Consonni, Viviana;
Farag, Sherif;
Fourches, Denis;
García-Sosa, Alfonso T.;
Gramatica, Paola;
Grisoni, Francesca

Publication type:

Article

Enhanced Visualization and Interpretation of XMCD‐PEEM Data Using SOM‐RPM Machine Learning.

Published in:

Advanced Materials Interfaces, 2023, v. 10, n. 36, p. 1, doi. 10.1002/admi.202300581

By:

Wong, See Yoong;
Harmer, Sarah L.;
Gardner, Wil;
Schenk, Alex K.;
Ballabio, Davide;
Pigram, Paul J.

Publication type:

Article

Exploring the Relationship between Polymer Surface Chemistry and Bacterial Attachment Using ToF‐SIMS and Self‐Organizing maps.

Published in:

Advanced Materials Interfaces, 2023, v. 10, n. 9, p. 1, doi. 10.1002/admi.202202334

By:

Wong, See Yoong;
Hook, Andrew L.;
Gardner, Wil;
Chang, Chien‐Yi;
Mei, Ying;
Davies, Martyn C.;
Williams, Paul;
Alexander, Morgan R.;
Ballabio, Davide;
Muir, Benjamin W.;
Winkler, David A.;
Pigram, Paul J.

Publication type:

Article

Exploring the Relationship between Polymer Surface Chemistry and Bacterial Attachment Using ToF‐SIMS and Self‐Organizing maps.

Published in:

Advanced Materials Interfaces, 2023, v. 10, n. 9, p. 1, doi. 10.1002/admi.202202334

By:

Wong, See Yoong;
Hook, Andrew L.;
Gardner, Wil;
Chang, Chien‐Yi;
Mei, Ying;
Davies, Martyn C.;
Williams, Paul;
Alexander, Morgan R.;
Ballabio, Davide;
Muir, Benjamin W.;
Winkler, David A.;
Pigram, Paul J.

Publication type:

Article

From the Streets to the Judicial Evidence: Determination of Traditional Illicit Substances in Drug Seizures by a Rapid and Sensitive UHPLC-MS/MS-Based Platform.

Published in:

Molecules, 2023, v. 28, n. 1, p. 164, doi. 10.3390/molecules28010164

By:

Gosetti, Fabio;
Consonni, Viviana;
Ballabio, Davide;
Orlandi, Marco Emilio;
Amodio, Angelo;
Valeria Picci, Maria;
Visentin, Marco;
Termopoli, Veronica

Publication type:

Article

Multi-Task Neural Networks and Molecular Fingerprints to Enhance Compound Identification from LC-MS/MS Data.

Published in:

Molecules, 2022, v. 27, n. 18, p. 5827, doi. 10.3390/molecules27185827

By:

Consonni, Viviana;
Gosetti, Fabio;
Termopoli, Veronica;
Todeschini, Roberto;
Valsecchi, Cecile;
Ballabio, Davide

Publication type:

Article

Parsimonious Optimization of Multitask Neural Network Hyperparameters.

Published in:

Molecules, 2021, v. 26, n. 23, p. 7254, doi. 10.3390/molecules26237254

By:

Valsecchi, Cecile;
Consonni, Viviana;
Todeschini, Roberto;
Orlandi, Marco Emilio;
Gosetti, Fabio;
Ballabio, Davide

Publication type:

Article

On the Misleading Use of QF32 for QSAR Model Comparison.

Published in:

Molecular Informatics, 2019, v. 38, n. 1/2, p. N.PAG, doi. 10.1002/minf.201800029

By:

Consonni, Viviana;
Todeschini, Roberto;
Ballabio, Davide;
Grisoni, Francesca

Publication type:

Article

Structural alerts for the identification of bioaccumulative compounds.

Published in:

Integrated Environmental Assessment & Management, 2019, v. 15, n. 1, p. 19, doi. 10.1002/ieam.4085

By:

Valsecchi, Cecile;
Grisoni, Francesca;
Consonni, Viviana;
Ballabio, Davide

Publication type:

Article

Capsaicinoids in Chili Habanero by Flow Injection with Coulometric Array Detection.

Published in:

Electroanalysis, 2019, v. 31, n. 5, p. 844, doi. 10.1002/elan.201800705

By:

Morozova, Ksenia;
Rodríguez‐Buenfil, Ingrid;
López‐Domínguez, Cindy;
Ramírez‐Sucre, Manuel;
Ballabio, Davide;
Scampicchio, Matteo

Publication type:

Article

Artificial Intelligence and Machine Learning Methods to Evaluate Cardiotoxicity following the Adverse Outcome Pathway Frameworks.

Published in:

Toxics, 2024, v. 12, n. 1, p. 87, doi. 10.3390/toxics12010087

By:

Viganò, Edoardo Luca;
Ballabio, Davide;
Roncaglioni, Alessandra

Publication type:

Article

Predicting molecular activity on nuclear receptors by multitask neural networks.

Published in:

Journal of Chemometrics, 2022, v. 36, n. 2, p. 1, doi. 10.1002/cem.3325

By:

Valsecchi, Cecile;
Collarile, Magda;
Grisoni, Francesca;
Todeschini, Roberto;
Ballabio, Davide;
Consonni, Viviana

Publication type:

Article

Traceability of soybeans produced in Argentina based on their trace element profiles.

Published in:

Journal of Chemometrics, 2020, v. 34, n. 12, p. 1, doi. 10.1002/cem.3252

By:

Hidalgo, Melisa J.;
Fechner, Diana C.;
Ballabio, Davide;
Marchevsky, Eduardo J.;
Pellerano, Roberto G.

Publication type:

Article

Mapping of Activity through Dichotomic Scores (MADS): A new chemoinformatic approach to detect activity‐rich structural regions.

Published in:

Journal of Chemometrics, 2018, v. 32, n. 4, p. 1, doi. 10.1002/cem.2994

By:

Todeschini, Roberto;
Consonni, Viviana;
Ballabio, Davide;
Grisoni, Francesca

Publication type:

Article

Nonlinear classification of commercial Mexican tequilas.

Published in:

Journal of Chemometrics, 2017, v. 31, n. 12, p. 1, doi. 10.1002/cem.2939

By:

Andrade, Jose Manuel;
Ballabio, Davide;
Gómez‐Carracedo, Maria Paz;
Pérez‐Caballero, Guadalupe

Publication type:

Article

A chemometric approach to the environmental problem of predicting toxicity in contaminated sediments.

Published in:

Journal of Chemometrics, 2010, v. 24, n. 7/8, p. 379, doi. 10.1002/cem.1264

By:

Alvarez-Guerra, Manuel;
Ballabio, Davide;
Amigo, José Manuel;
Viguri, Javier R.;
Bro, Rasmus

Publication type:

Article

Evaluation of model predictive ability by external validation techniques.

Published in:

Journal of Chemometrics, 2010, v. 24, n. 3/4, p. 194, doi. 10.1002/cem.1290

By:

Consonni, Viviana;
Ballabio, Davide;
Todeschini, Roberto

Publication type:

Article

Classification of GC-MS measurements of wines by combining data dimension reduction and variable selection techniques.

Published in:

Journal of Chemometrics, 2008, v. 22, n. 8, p. 457, doi. 10.1002/cem.1173

By:

Ballabio, Davide;
Skov, Thomas;
Leardi, Riccardo;
Bro, Rasmus

Publication type:

Article

Towards Global QSAR Model Building for Acute Toxicity: Munro Database Case Study.

Published in:

2014

By:

Chavan, Swapnil;
Nicholls, Ian A.;
Karlsson, Björn C. G.;
Rosengren, Annika M.;
Ballabio, Davide;
Consonni, Viviana;
Todeschini, Roberto

Publication type:

Case Study

Comparison of Different Approaches to Define the Applicability Domain of QSAR Models.

Published in:

Molecules, 2012, v. 17, n. 5, p. 4791, doi. 10.3390/molecules17054791

By:

Sahigara, Faizan;
Mansouri, Kamel;
Ballabio, Davide;
Mauri, Andrea;
Consonni, Viviana;
Todeschini, Roberto

Publication type:

Article

Qualitative consensus of QSAR ready biodegradability predictions.

Published in:

Toxicological & Environmental Chemistry, 2017, v. 99, n. 7/8, p. 1193, doi. 10.1080/02772248.2016.1260133

By:

Ballabio, Davide;
Biganzoli, Fabrizio;
Todeschini, Roberto;
Consonni, Viviana

Publication type:

Article

Improving bitter pit prediction by the use of X-ray fluorescence (XRF): A new approach by multivariate classification.

Published in:

Frontiers in Plant Science, 2022, v. 13, p. 1, doi. 10.3389/fpls.2022.1033308

By:

Moggia, Claudia;
Bravo, Manuel A.;
Baettig, Ricardo;
Valdés, Marcelo;
Romero-Bravo, Sebastián;
Zúñiga, Mauricio;
Cornejo, Jorge;
Gosetti, Fabio;
Ballabio, Davide;
Cabeza, Ricardo A.;
Beaudry, Randolph;
Lobos, Gustavo A.

Publication type:

Article

Effectiveness of molecular fingerprints for exploring the chemical space of natural products.

Published in:

Journal of Cheminformatics, 2024, v. 16, n. 1, p. 1, doi. 10.1186/s13321-024-00830-3

By:

Boldini, Davide;
Ballabio, Davide;
Consonni, Viviana;
Todeschini, Roberto;
Grisoni, Francesca;
Sieber, Stephan A.

Publication type:

Article

Amperometric electronic tongue for food analysis.

Published in:

Microchimica Acta, 2008, v. 163, n. 1/2, p. 11, doi. 10.1007/s00604-008-0915-8

By:

Scampicchio, Matteo;
Ballabio, Davide;
Arecchi, Alessandra;
Cosio, Stella M.;
Mannino, Saverio

Publication type:

Article

Quantitative structure–activity relationships to predict sweet and non-sweet tastes.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 3, p. 1, doi. 10.1007/s00214-016-1812-1

By:

Rojas, Cristian;
Ballabio, Davide;
Consonni, Viviana;
Tripaldi, Piercosimo;
Mauri, Andrea;
Todeschini, Roberto

Publication type:

Article

Multi-method Approach to Trace the Geographical Origin of Alpine Milk: a Case Study of Tyrol Region.

Published in:

Food Analytical Methods, 2016, v. 9, n. 5, p. 1262, doi. 10.1007/s12161-015-0308-2

By:

Scampicchio, Matteo;
Eisenstecken, Daniela;
Benedictis, Lorenzo;
Capici, Calogero;
Ballabio, Davide;
Mimmo, Tanja;
Robatscher, Peter;
Kerschbaumer, Luis;
Oberhuber, Michael;
Kaser, Annemarie;
Huck, Christian;
Cesco, Stefano

Publication type:

Article