Scientific publications
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Moro S, Spalluto G, Cusan C, et al. "The application of a 3D-QSAR (autoMEP/PLS) approach as an efficient pharmacodynamic-driven filtering method for small-sized virtual library: Application to a lead optimization of a human A3 adenosine receptor antagonist." Bioorg. Med. Chem.. 2006;14(14):4923-4932. Abstract

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Schuster D, Kern L, Hristozov D, et al. "Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors." Comb. Chem. & HTS. 2010;13(1):54-66. Abstract

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Williams FM, Rothe H, Barrett G, et al. "Assessing the safety of cosmetic chemicals: Consideration of a flux decision tree to predict dermally delivered systemic dose for comparison with oral TTC (Threshold of Toxicological Concern)." Regulatory Toxicology and Pharmacology. 2016;76:174-186.
Moro S, Bacilieri M, Ferrari C, Spalluto G. "Autocorrelation of molecular electrostatic potential surface properties combined with partial least squares analysis as alternative attractive tool to generate ligand-based 3D-QSARs." Curr. Drug Disc. Tech.. 2005;2:13-21. Abstract

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Moro S, Bacilieri M, Cacciari B, Spalluto G. "Autocorrelation of Molecular Electrostatic Potential Surface Properties Combined with Partial Least Squares Analysis as New Strategy for the Prediction of the Activity of Human A3 Adenosine Receptor Antagonists." J. Med. Chem.. 2005;48:5698-5704. Abstract

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