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The Chemical Smiler: CHEMICal Abstraction Leading to SMILEs of Reference
Data Availability Statement The software tool developed in this study operates entirely on publicly available datasets. No new experimental data were generated for this work. The specific datasets used to validate the tool through the three application case studies are thoroughly referenced within the manuscript. References 1, “SMILES, a Chemical Language and Information System. 1.
The VEGA Tool to Check the Applicability Domain Gives Greater Confidence in the Prediction of In Silico Models
Open AccessArticle by 1, 2, 2, 2, 2,*, 3, 3, 4, 4 and 2 1 Department of Biotechnology and Life Science, University of Insubria, Via Dunant 3, 21100 Varese, Italy 2 Laboratory of Environmental Toxicology and Chemistry, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCSS, 20156 Milano, Italy 3 KODE Srl, Via Nino Pisano 14, 56122 Pisa, Italy 4 European Food Safety Authority (EFSA), Via Carlo Magno 1A, 43126 Parma, Italy * Author to whom...
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