DrugBank: a comprehensive resource for in silico drug discovery and exploration

Keywords

DrugBank, PubChem, Cheminformatics, In silico, chEMBL

References

• TTD: Therapeutic Target DatabaseX. Chen — 2002
• GeneCards: a novel functional genomics compendium with automated data mining and query reformulation supportMichael Rebhan, Vered Chalifa‐Caspi, Jaime Prilusky — 1998
• The European Bioinformatics Institute's data resources: towards systems biologyCath Brooksbank — 2004
• PharmGKB: the Pharmacogenetics Knowledge BaseMicheal Hewett — 2002
• The KEGG resource for deciphering the genomeM. Kanehisa — 2004
• The CyberCell Database (CCDB): a comprehensive, self-updating, relational database to coordinate and facilitate in silico modeling of Escherichia coliSrinivasan Sundararaj — 2004
• The Universal Protein Resource (UniProt)Amos Bairoch — 2004
• Quality of consumer drug information provided by four Web sites.Catherine L. Hatfield, Sondra K. May, Jeffrey S. Markoff — 1999

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• Molecular similarity measures.Gerald M. Maggiora, Veerabahu Shanmugasundaram — 2011
• Opioid switching and rotation in primary care: implementation and clinical utilityR. Ferrarini, Enrico Nicolis, Eduardo de Marchi Furlan — 2009
• Self-enucleation of one eye.Brigitte Nestler — 2009
• Exploring schizophrenia drug-gene interactions through molecular network and pathway modeling.Daniel K. Putnam, Jingchun Sun, Zhongming Zhao — 2011
• DTome: a web-based tool for drug-target interactome constructionElham Bagheri — 2012
• The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasetsChristiano Cruz Ambros — 2015
• PDID: database of molecular-level putative protein–drug interactions in the structural human proteomeChen Wang, Gang Hu, Kui Wang — 2015
• Targeted Multiresidue Analysis of Veterinary Drugs in Milk-Based Powders Using Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS).A. Blasco Feliu, M. Piles — 2017
• Comparative interactomics for virus–human protein–protein interactions: DNA viruses versus RNA virusesJayne Melville Whyte, Loraine Thompson — 2017
• Prostacyclin as an Anticoagulant for Continuous Renal Replacement Therapy in ChildrenLila E. Nachtigall, Robert D. Nachtigall, Joan Rattner Heilman — 2017
• CarcinoPred-EL: Novel models for predicting the carcinogenicity of chemicals using molecular fingerprints and ensemble learning methodsPhillipe Jeammet — 2017
• Drug-target interaction prediction by integrating multiview network dataZhenjie Zhang — 2017
• Treatment of acute myeloid leukemia in the next decade - Towards real-time functional testing and personalized medicine.B Anzaldo Campos, Ricardo Adalberto — 2017
• Global scanning assessment of calcium channel blockers in the environment: Review and analysis of occurrence, ecotoxicology and hazards in aquatic systems.Dominique Jonville — 2017
• A synoptic survey of select wastewater-tracer compounds and the pesticide imidacloprid in Florida’s ambient freshwatersRebecka Janols, Karen Day, Martin Orr — 2018
• Approaches to target tractability assessment - a practical perspective.Rajit A. Gilhotra, Usman H. Malabu, Valli Manickam — 2018
• Metal-Free [2 + 2 + 2] Cycloaddition of Ynamide-Nitriles with Ynamides: A Highly Regio- and Chemoselective Synthesis of δ-Carboline Derivatives.Torcuato S. Di Tella — 2018
• eToxPred: a machine learning-based approach to estimate the toxicity of drug candidatesJosé Antonio Fernández Ordóñez — 2019

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