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Journal of Cheminformatics|December 9, 2020
ReactionCode: format for reaction searching, analysis, classification, transform, and encoding/decodingVictorien Delannée, Marc C NicklausJournal of Chemical Information and Modeling|February 12, 2020
Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2Devendra K Dhaked, Wolf-Dietrich Ihlenfeldt, Hitesh Patel, et al.Journal of Chemical Information and Modeling|June 17, 2020
Adapting CHMTRN (CHeMistry TRaNslator) for a New UsePhilip N Judson, Wolf-Dietrich Ihlenfeldt, Hitesh Patel, et al.Journal of Cheminformatics|December 9, 2025
SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding styleStefi Nouleho Ilemo, Victorien Delannée, Olga Grushin, et al.Scientific Data|November 12, 2020
SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rulesHitesh Patel, Wolf-Dietrich Ihlenfeldt, Philip N Judson, et al.Toxicology Letters|October 14, 2018
In silico prediction of Heterocyclic Aromatic Amines metabolism susceptible to form DNA adducts in humansVictorien Delannée, Sophie Langouët, Anne Siegel, et al.Peerj|September 8, 2017
A modeling approach to evaluate the balance between bioactivation and detoxification of MeIQx in human hepatocytesVictorien Delannée, Sophie Langouët, Nathalie Théret, et al.Future Medicinal Chemistry|March 24, 2011
Computer tools in the discovery of HIV-1 integrase inhibitorsChenzhong Liao, Marc C NicklausJournal of Chemical Information and Modeling|December 8, 2009
Comparison of nine programs predicting pK(a) values of pharmaceutical substancesChenzhong Liao, Marc C NicklausChemmedchem|June 10, 2010
Tautomerism and magnesium chelation of HIV-1 integrase inhibitors: a theoretical studyChenzhong Liao, Marc C NicklausPageof 9