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Articles

Hybrid reduced graph for SAR studies

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Pages 201-214 | Received 02 Nov 2012, Accepted 20 Dec 2012, Published online: 25 Feb 2013

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G. Cerruela García, N. García-Pedrajas, I. Luque Ruiz & M. Á. Gómez-Nieto. (2018) Molecular activity prediction by means of supervised subspace projection based ensembles of classifiers. SAR and QSAR in Environmental Research 29:3, pages 187-212.
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Aurelio Antelo-Collado, Ramón Carrasco-Velar, Nicolás García-Pedrajas & Gonzalo Cerruela-García. (2020) Maximum common property: a new approach for molecular similarity. Journal of Cheminformatics 12:1.
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Simoun Mikhael & Ravinder Abrol. (2019) Chiral Graphs: Reduced Representations of Ligand Scaffolds for Stereoselective Biomolecular Recognition, Drug Design, and Enhanced Exploration of Chemical Structure Space. ChemMedChem 14:8, pages 798-809.
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