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Journal of Cheminformatics|June 9, 2016
Are the physicochemical properties of antibacterial compounds really different from other drugs?Jean-Paul Ebejer, Michael H Charlton, Paul W FinnJournal of Cheminformatics|November 13, 2015
A fast topological analysis algorithm for large-scale similarity evaluations of ligands and binding pocketsMohammad ElGamacy, Luc Van MeerveltJournal of Cheminformatics|June 9, 2016
Advanced SPARQL querying in small molecule databasesJakub Galgonek, Tomáš Hurt, Vendula Michlíková, et al.Journal of Cheminformatics|July 13, 2016
bSiteFinder, an improved protein-binding sites prediction server based on structural alignment: more accurate and less time-consumingJun Gao, Qingchen Zhang, Min Liu, et al.Journal of Cheminformatics|May 10, 2016
"Ask Ernö": a self-learning tool for assignment and prediction of nuclear magnetic resonance spectraAndrés M Castillo, Andrés Bernal, Reiner Dieden, et al.Journal of Cheminformatics|May 5, 2016
Ligand cluster-based protein network and ePlatton, a multi-target ligand finderYu Du, Tieliu ShiJournal of Cheminformatics|February 23, 2016
Effects of using structured templates for recalling chemistry experimentsCerys Willoughby, Thomas A Logothetis, Jeremy G FreyJournal of Cheminformatics|January 17, 2017
Scaffold analysis of PubChem database as background for hierarchical scaffold-based visualizationJakub Velkoborsky, David HokszaJournal of Cheminformatics|February 16, 2019
Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modelingLindsey Burggraaff, Paul Oranje, Robin Gouka, et al.Journal of Cheminformatics|March 7, 2019
Automated simultaneous assignment of bond orders and formal chargesIvan D Welsh, Jane R AllisonPageof 137