Drug Informatics Database

The Drug Informatics Database (DIDB) project was initiated under the Georgetown In Silico Research Center of Excellence (ISRCE) to compile known small molecule inhibitors for specific cancer targets into one database. These molecules and information about them are extracted from published papers via both software-achieved and manual curation.  Data is captured from the literature using the tool CLiDE 2.0 (Chemical Literature Data Extraction tool) and hand curated for accuracy. Information about these molecules is found within the source papers but also determined by complex software.  Chemical structure/property data and experimental data (IC50/EC50) associated with small molecules are being annotated, including inhibitory chemical structures.   Eventually, these molecules will be able to be searched, ideally spurring future research for potential small molecule inhibitors. The goal of DIDB is to annotate many targets with multiple diseases, with thousands of structures, which will advance the cause of drug design for cancer therapeutic development by providing decision support for experimental design (e.g., cross target effect vs. selectivity) as well as rapidly identify new drugs using similarity searches.