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Every year the online journal Nucleic Acids Research devotes its January issue (http://nar.oxfordjournals.org/archive/) to databases in cheminformatics and bioinformatics. Among the more than 1000 databases listed here, this page has a classified listing of databases devoted to nucleic acid and proteins sequences, structure of small molecules, proteomics, and metabolic and signaling pathways.
This is the home page of David Wild, Professor at Indiana University School of Informatics and Computing. It provides an overview of cheminformatics and the emerging fields of chemogenomics, systems chemical biology and semantic technologies, and has links to several new tools.
A database and knowledge inference system that integrates multiple bioactivity datasets in order to provide researchers with novel capabilities for the mining and exploration of available structure activity relationships (SAR) throughout chemical biology space.
A database of bioactive drug-like small molecules. It contains 2-D structures, calculated properties such as LogP, Lipinski parameters, and selected literature references on bioactivities such as binding constants, and pharmacology.
Helps researchers rationally design or select new compounds or compound libraries with significantly enhanced hit rates in screening experiments. This article, the first one in this issue of the Journal of Chemical Information and Modeling, provides a description, http://pubs.acs.org/toc/jcisd8/57/2/
A cheminformatics program for data visualization and analysis. The program combines dynamic graphical views and interactive row filtering with chemical intelligence. You can scatter plots, box plots, bar charts and pie charts not only to visualize numerical or category data, but also to show trends of multiple scaffolds or compound substitution patterns.
A freely available Virtual Machine encompassing tools, databases & workflows, including new resources developed for ligand binding site comparisons and G-protein-coupled receptor research. This article, in the Journal of Chemical Information and Modeling (scroll down to page 115) provides a description, http://pubs.acs.org/toc/jcisd8/57/2/
a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. The database contains 7685 drug entries including 1549 FDA-approved small molecule drugs, 155 FDA-approved biotech (protein/peptide) drugs, 89 nutraceuticals and over 6000 experimental drugs. Additionally, 4282 non-redundant protein (i.e. drug target/enzyme/transporter/carrier) sequences are linked to these drug entries. Each DrugCard entry contains more than 200 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data.