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Journal of Cheminformatics|November 24, 2018
Statistical-based database fingerprint: chemical space dependent representation of compound databasesNorberto Sánchez-Cruz, José L Medina-FrancoJournal of Cheminformatics|February 23, 2021
MAIP: a web service for predicting blood-stage malaria inhibitorsNicolas Bosc, Eloy Felix, Ricardo Arcila, et al.Journal of Cheminformatics|February 13, 2021
RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutionsNicolai Ree, Andreas H Göller, Jan H JensenJournal of Cheminformatics|March 14, 2017
Technical implications of new IUPAC elements in cheminformaticsJohn W Mayfield, Roger A SayleJournal of Cheminformatics|March 18, 2017
Adverse drug reactions triggered by the common HLA-B*57:01 variant: a molecular docking studyGeorge Van Den Driessche, Denis FourchesJournal of Cheminformatics|March 21, 2017
Predicting drug-drug interactions through drug structural similarities and interaction networks incorporating pharmacokinetics and pharmacodynamics knowledgeTakako Takeda, Ming Hao, Tiejun Cheng, et al.Journal of Cheminformatics|March 21, 2017
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomicsJiangming Sun, Nina Jeliazkova, Vladimir Chupakin, et al.Journal of Cheminformatics|March 21, 2017
Analysis of drug-endogenous human metabolite similarities in terms of their maximum common substructuresSteve O'Hagan, Douglas B KellJournal of Cheminformatics|August 8, 2019
Rapid prediction of NMR spectral properties with quantified uncertaintyEric Jonas, Stefan KuhnJournal of Cheminformatics|January 4, 2026
Optimizing SMILES token sequences via trie-based refinement and transition graph filteringSridhar Radhakrishnan, Krish Mody, Arvind Venkatesh, et al.Pageof 137