Team

Lino Marino

Lino Marino

Help-Desk IT

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Andrea Ciacci

Andrea Ciacci

Research Scientist

Modelling, Data science

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Lorenza Broccardo

Lorenza Broccardo

Project Manager

Quality by Design, Multivariate Data Analysis

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Luca Sartori

Luca Sartori

Director

Chemometrics, Database design, Software development project management, Modelling, Data mining

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Massimo Mabilia

Massimo Mabilia

Founder and Vice President

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Marta Lettieri

Marta Lettieri

Computational Toxicology Research Scientist

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Tech Partner

Acd Labs
3rds Biovia
Gaussian
Knime
Leadscope
Mn Am
Molinstincts
Pharmacelera
Reach Ready
Umetrics Sartorius
Wavefunction

Publications

2019

  • Kovarich S, Ceriani L, Fuart Gatnik M, Bassan A, Pavan M., Filling data gaps by read across: a mini review on its application, developments and challenges. Molecular Informatics, 2019. Read more...
  • Palczewska A, Kovarich S, Ciacci A, Fioravanzo E, Bassan A, Neagu D, Ranking strategies to support toxicity prediction: A case study on potential LXR binders. Computational Toxicology, 2019, 10, 130-144. Read more...

2018

  • Decesari S, Kovarich S., Pavan M., Bassan A., Ciacci A., Evaluating the mutagenic potential of aerosol organic compounds using informatics-based screening. Atmos. Chem. Phys., 2018, 18, 2329–2340. Read more...
  • Ceriani L., Ciacci A., Baldin R., Kovarich S., Pavan M., Fioravanzo E., Bassan A. 2018. Final report on the update and maintenance of OpenFoodTox: EFSA’s Chemical Hazards Database. EFSA supporting publication 2018: EN-1438
  • Ceriani L., Baldin R., Kovarich S., Pavan M., Fioravanzo E., Bassan A. 2018. Third report on the update and maintenance of EFSA’s Chemical Hazards Database. EFSA supporting publication 2018: EN-1265.
  • Saouter E., Biganzoli F.,Ceriani L.,Veersteeg D., Crenna E., Zampori L., Sala S., Pant R. 2018. Environmental Footprint: Update of Life Cycle Impact Assessment Methods – Ecotoxicity freshwater, human toxicity cancer, and non-cancer. EUR 29495 EN, Publications Office of the European Union, Luxembourg, ISBN 978-92-79-98183-8, doi: 10.2760/611799, JRC114227.
  • Lorenza Broccardo, Process Validation: elements to be considered for an enhanced approach. New strategies according to current thinking; Associazione Farmaceutici Industria (AFI) – Working Group on Process Validation; Buone pratiche di fabbricazione – Linea guida AFI volume XIV. Tecniche Nuove 2018

2017

  • Bois F.Y., Golbamaki-Bakhtyari N., Kovarich S., Tebby C., Gabb H.A., Lemazurier E. High-throughput analysis of ovarian cycle disruption by mixtures of aromatase inhibitors. Environmental Health Perspectives. 2017. 125 (7) 077012.
  • Tsakovska I., Pajeva I., Al Sharif M., Alov P., Fioravanzo E., Kovarich S., Worth A.P., Richarz A.-N., Yang C., Mostrag-Szlichtyng A., Cronin M.T.D. Quantitative structure-skin permeability relationships. Toxicology 387 (2017) 27–42.
  • Bois F.Y., Diaz Ochoa J.G., Gajewska M., Kovarich S, Mauch K., Paini A., Péry A., Benito J.V., Teng S., Worth A. Multiscale modelling approaches for assessing cosmetic ingredients safety. Toxicology 392 (2017) 130–139.
  • Lorenza Broccardo, Piani di campionamento: il primo passo per una corretta valutazione della Qualità dei prodotti. Buone pratiche di fabbricazione – Linea guida AFI “Volume XIII”, Tecniche Nuove, 2017
  • De-Giorgio, F., Stocchero, M., Papalois, A., Ferino, G., Xanthos, T., Noto, A., Mura, P. (2017). Metabolomics profiling reveals different patterns in an animal model of asphyxial and dysrhythmic cardiac arrest. Scientific Reports, 7(1), 1–13. Read more...
  • Bozzetto, S., Pirillo, P., Carraro, S., Berardi, M., Cesca, L., Stocchero, M., Baraldi, E. (2017). Metabolomic profile of children with recurrent respiratory infections. Pharmacological Research, 115, 162–167. Read more...

2016

  • Al Sharif M., Tsakovska I., Pajeva I., Alov P., Fioravanzo E., Bassan A., Kovarich S., Yang C., Mostrag-Szlichtyng A., Vitcheva V., Worth A.P., Richarz A.-N., Cronin M.T.D. The application of molecular modelling in the safety assessment of chemicals: A case study on ligand dependent PPARγ Toxicology. 2017. 1;392:140-154. doi: 10.1016/j.tox.2016.01.009.
  • Pavan M., Kovarich S., Bassan A., Broccardo L., Yang C., Fioravanzo E. The consultancy activity on in silico models for genotoxic prediction of pharmaceutical impurities. Methods in Molecular Biology (Chapter 21), Emilio Benfenati (ed.), Springer Science+Business Media, New York, 2016, 1425, 511.
  • Rizzi A., Ciacci A., Capelli A.M. GLIMPSED: An Improved Docking Protocol for Cognate Docking. Mol. Informatics 2016, 35 (8-9), 350-357
  • Baraldi, E., Giordano, G., Stocchero, M., Moschino, L., Zaramella, P., Tran, M. R., Gervasi, M. T. (2016). Untargeted metabolomic analysis of amniotic fluid in the prediction of preterm delivery and bronchopulmonary dysplasia. PLoS ONE, 11(10), 1–14. Read more...
  • Paglia, G., Stocchero, M., Cacciatore, S., Lai, S., Angel, P., Alam, M. T., Astarita, G. (2016). Unbiased Metabolomic Investigation of Alzheimer’s Disease Brain Points to Dysregulation of Mitochondrial Aspartate Metabolism. Journal of Proteome Research, 15(2), 608–618. Read more...
  • D’Incà, E., Commisso, M., Dal Santo, S., Anesi, A., Zenoni, S., Ceoldo, S., Stocchero, M. (2016). The Terroir Concept Interpreted through Grape Berry Metabolomics and Transcriptomics. Journal of Visualized Experiments, (116), 1–15. Read more...
  • Piccinonna, S., Ragone, R., Stocchero, M., Del Coco, L., De Pascali, S. A., Schena, F. P., & Fanizzi, F. P. (2016). Robustness of NMR-based metabolomics to generate comparable data sets for olive oil cultivar classification. An inter-laboratory study on Apulian olive oils. Food Chemistry, 199, 675–683. Read more...
  • Mattoli, L., Burico, M., Fodaroni, G., Tamimi, S., Bedont, S., Traldi, P., & Stocchero, M. (2016). New frontiers in pharmaceutical analysis: A metabolomic approach to check batch compliance of complex products based on natural substances. Journal of Pharmaceutical and Biomedical Analysis, 126, 156–162. Read more...
  • Dall’Acqua, S., Stocchero, M., Boschiero, I., Schiavon, M., Golob, S., Uddin, J., Schievano, E. (2016). New findings on the in vivo antioxidant activity of Curcuma longa extract by an integrated 1H NMR and HPLC-MS metabolomic approach. Fitoterapia, 109, 125–131. Read more...
  • Arredouani, A., Stocchero, M., Culeddu, N., Moustafa, J. E. S., Tichet, J., Balkau, B., Falchi, M. (2016). Metabolomic profile of low-copy number carriers at the salivary α-amylase gene suggests a metabolic shift toward lipid-based energy production. Diabetes, 65(11), 3362–3368. Read more...
  • Strazzer, P., Levi, M., Toffali, K., Guzzo, F., Ceoldo, S., Commisso, M., Stocchero, M. (2016). Impact of Phenylpropanoid Compounds on Heat Stress Tolerance in Carrot Cell Cultures. Frontiers in Plant Science, 7(September), 1–16. Read more...
  • Cozzolino, R., Pace, B., Cefola, M., Martignetti, A., Stocchero, M., Fratianni, F., De Giulio, B. (2016). Assessment of volatile profile as potential marker of chilling injury of basil leaves during postharvest storage. Food Chemistry, 213, 361–368. Read more...

2015

  • Lorenza Broccardo, Suggerimenti e approccio per lo sviluppo di un ciclo di liofilizzazione; Buone pratiche di fabbricazione Volume XI, Tecniche Nuove, 2015
  • Tornielli, G. B., Zenoni, S., Ceoldo, S., Dal Santo, S., Pezzotti, M., Stocchero, M., Commisso, M. (2015). Towards a scientific interpretation of the terroir concept: plasticity of the grape berry metabolome. BMC Plant Biology, 15(1), 1–17. Read more...
  • Pace, B., Cozzolino, R., De Giulio, B., Pellicano, M. P., Martignetti, A., Cefola, M., & Stocchero, M. (2015). Characterisation of volatile profile and sensory analysis of fresh-cut “Radicchio di Chioggia” stored in air or modified atmosphere. Food Chemistry, 192, 603–611. Read more...
  • Carraro, S., Giordano, G., Pirillo, P., Maretti, M., Reniero, F., Cogo, P. E., Baraldi, E. (2015). Airway metabolic anomalies in adolescents with bronchopulmonary dysplasia: New insights from the metabolomic approach. Journal of Pediatrics, 166(2), 234–239.e1. Read more...

2014

  • Stocchero, M., Saggese, P., Martignetti, A., De Magistris, L., Di Stasio, M., Malorni, A., Marotta, R. (2014). Use of solid-phase microextraction coupled to gas chromatography–mass spectrometry for determination of urinary volatile organic compounds in autistic children compared with healthy controls. Analytical and Bioanalytical Chemistry, 406(19), 4649–4662. Read more...
  • Miraglia, N., Facchiano, A., Stocchero, M., Siciliano, R. A., Mazzeo, M. F., Sannolo, N., De Franciscis, P. (2014). Rapid peptidomic profiling of peritoneal fluid by MALDI-TOF mass spectrometry for the identification of biomarkers of endometriosis. Gynecological Endocrinology, 30(12), 872–876. Read more...
  • Zanon, C., Stocchero, M., Albiero, E., Castegnaro, S., Chieregato, K., Madeo, D., Astori, G. (2014). Multivariate statistical data analysis as a tool to analyze ex vivo expansion dynamics of cytokine-induced killer cells. Cytometry Part B - Clinical Cytometry, 86(4), 257–262. Read more...
  • Clauser, M., Dall’Acqua, S., Stocchero, M., Mammi, S., Ndoum, E., Boschiero, I., Schiavon, M. (2014). Changes in urinary metabolic profile after oral administration of curcuma extract in rats. Journal of Pharmaceutical and Biomedical Analysis, 100, 348–356. Read more...

2013

  • Orlandini, S., Pasquini, B., Stocchero, M., Pinzauti, S., & Furlanetto, S. (2014). An integrated quality by design and mixture-process variable approach in the development of a capillary electrophoresis method for the analysis of almotriptan and its impurities. Journal of Chromatography A, 1339, 200–209. Read more...
  • Commisso, M.; Strazzer, P.; Toffali, K.; Stocchero, M.; Guzzo, F. (2013). Untargeted metabolomics: an emerging approach to determine the composition of herbal products Abstract : Natural remedies such as those based on traditional Chinese medicines , have become more popular also in western countries over the last 10 years . Comput. Struct. Biotechnol. J., 4(January), e201301007. Read more...
  • Toffali K., Ceoldo S., Stocchero M., Levi, M., & Guzzo F. (2013). Carrot-specific features of the phenylpropanoid pathway identified by feeding cultured cells with defined intermediates. Plant Science, 209, 81–92. Read more...
  • Carraro S., Giordano G., Reniero F., Carpi D., Stocchero M., Sterk P. J., & Baraldi E. (2013). Asthma severity in childhood and metabolomic profiling of breath condensate. Allergy: European Journal of Allergy and Clinical Immunology, 68(1), 110–117. Read more...

2011

  • Lorenza Broccardo, Chemoinformatica, soluzioni e strumenti per scienze e tecnologie biomediche; Springer, novembre 2011

2010

  • Zamboni A., Delledonne M., Di Carli M., Benvenuto E., Ferrarini A., Pezzotti M., Toffali K. (2010). Identification of Putative Stage-Specific Grapevine Berry Biomarkers and Omics Data Integration into Networks. Plant Physiology, 154(3), 1439–1459. Read more...
  • Consonni R., Cagliani L. R., Stocchero M., & Porretta S. (2010). Evaluation of the production year in Italian and Chinese tomato paste for geographical determination using O2PLS models. Journal of Agricultural and Food Chemistry, 58(13), 7520–7525. Read more...
  • Giordano G., Reniero F., Stocchero M., Guillou C., Mattarucchi E., & Moreno-Rojas J. M. (2010). Authentication of Trappist Beers by LC-MS Fingerprints and Multivariate Data Analysis. Journal of Agricultural and Food Chemistry, 58(23), 12089–12095. Read more...

2009

  • Consonni R., Cagliani L. R., Stocchero M., & Porretta S. (2009). Triple concentrated tomato paste: Discrimination between Italian and Chinese products. Journal of Agricultural and Food Chemistry, 57(11), 4506–4513. Read more...

2008

  • Stocchero M., Humpfer E., Benevelli F., Cagliani L. R., Consonni R., & Spraul, M. (2008). NMR and Chemometric methods: A powerful combination for characterization of Balsamic and Traditional Balsamic Vinegar of Modena. Analytica Chimica Acta, 611(1), 31–40. Read more...

2005

  • Insieme si vince. Interventi antinquinamento e di monitoraggio delle acque reflue nelle valli del Chiampo e dell’Agno per lo sviluppo eco-compatibile del più importante distretto conciario italiano; La Chimica e l'Industria; 2005

Luca Sartori: publications before working at S-IN

  • Bruno A., Costantino G., Sartori L., Radi M. The in-silico drug discovery toolbox: applications in lead discovery and optimization. Article - Nov 2017, Current Medicinal Chemistry
  • Sartori L., Mercurio C., Amigoni F., […], Vianello P. Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration. Article - Mar 2017, Journal of Medicinal Chemistry
  • Vianello P., Sartori L., Amigoni F., Mercurio C. Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure Based Drug Design and Structure-Activity Relationship. Article - Feb 2017, Journal of Medicinal Chemistry
  • Vianello P., Sartori L., Amigoni F., Mercurio C. New reversible inhibitors of histone lysine demethylase (KDM1A/LSD1). From high throughput screening to the identification of low nanomolar inhibitors with cellular activity. Article - Dec 2016, European Journal of Cancer
  • Moretti L., Sartori L. A Simple and Resource-efficient Setup for the Computer-aided Drug Design Laboratory. Article - Sep 2016, Molecular Informatics
  • Moretti L., Sartori L. Software Infrastructure for Computer-aided Drug Discovery and Development, a Practical Example with Guidelines. Article - Jun 2016, Molecular Informatics
  • Thaler F., Moretti L., Amici R. […], Sartori L., Varasi M., Mercurio C. Synthesis, Biological Characterization and Molecular Modeling Insights of Spirochromanes as Potent HDAC Inhibitors.
    Article - Nov 2015, European Journal of Medicinal Chemistry
  • Sartori L., Minucci S. Tackling Oxidative Stress by a Direct Route: A New Job for HDAC Inhibitors? Article - Apr 2015, Chemistry & biology.
  • Mabilia M., Bacilieri M., Bassan A., Sartori L., […] Stocchero M. Chemoinformatica. Book – Jan 2012
  • Sartori L., Bassan A. Archiviazione e analisi di dati di tipo chimico. Chapter - Jan 2012
  • Thaler F., Colombo A., Mai A., Sartori L., […], Varasi M. Synthesis and Biological Evaluation of N-Hydroxyphenylacrylamides and N-Hydroxypyridin-2-ylacrylamides as Novel Histone Deacetylase Inhibitors. Article - Dec 2009, Journal of Medicinal Chemistry
  • Gianti E., Sartori L. Identification and Selection of “Privileged Fragments” Suitable for Primary Screening. Article - Dec 2008, Journal of Chemical Information and Modeling
  • Bosotti R. Locatelli G., Healy S.J.M., Sartori L., […], Isacchi A. Cross platform microarray analysis for robust identification of differentially expressed genes. Article - Feb 2007, BMC Bioinformatics
  • Carreras M., Gianti E., Sartori L., […], Bosotti R. PoInTree: A polar and interactive phylogenetic tree. Article - May 2005, Genomics Proteomics & Bioinformatics.

Remo Calabrese: publications before working at S-IN

  • Capriotti E, Fariselli P, Calabrese R, Casadio R. Predicting protein stability changes from sequences using support vector machines. Bioinformatics. 2005 Sep 1;21 Suppl 2:ii54-8.
  • Bartoli L, Calabrese R, Fariselli P, Mita DG, Casadio R. A computational approach for detecting peptidases and their specific inhibitors at the genome level. BMC Bioinformatics. 2007 Mar 8;8 Suppl 1:S3.
  • Calabrese R, Capriotti E, Fariselli P, Martelli PL, Casadio R. Functional annotations improve the predictive score of human disease-related mutations in proteins. Hum Mutat. 2009 Aug;30(8):1237-44. doi: 10.1002/humu.21047.
  • Capriotti E, Calabrese R, Fariselli P, Martelli PL, Altman RB, Casadio R. WS-SNPs&GO: a web server for predicting the deleterious effect of human protein variants using functional annotation. BMC Genomics. 2013;14 Suppl 3:S6. doi: 10.1186/1471-2164-14-S3-S6.

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Latest news

Machine learning in early prediction of metabolism of drugs for rare diseases

We are proud to announce that our colleague Marta Lettieri will be speaking at the workshop "Modelling & Simulation: Research Methodologies for Small Populations in Rare Diseases", which will be held in Bari on July 4th-5th.

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Save the Date! Workshop at AFI Symposium on 8th June in Rimini

Save the Date! Workshop at AFI Symposium on 8th June in Rimini

We will talk with experts about optimization in the integration of analytical, and process data, from R&D to production,

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See you in Rimini!

See you in Rimini!

We are thrilled to partecipate in 61° AFI Symposium! Stay tuned for more details.

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S-IN Soluzioni Informatiche S.r.l. - via G. Ferrari, 14 - 36100 - Vicenza - Italy

E-mail: info@s-in.it - PEC: mail@pec.s-in.it - Tel. +39 0444 1821160 - Fax +39 0444 1821169

 C.F. & P.IVA IT02397280245 - Ufficio del Registro: Vicenza - REA: VI227844 - Capitale sociale € 100.000,00 i.v.

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