Background: The disposition of a pharmaceutical compound within an organism, i.e. its Absorption, Distribution,\nMetabolism, Excretion, Toxicity (ADMET) properties and adverse effects, critically affects late stage failure of drug candidates\nand has led to the withdrawal of approved drugs. Computational methods are effective approaches to reduce\nthe number of safety issues by analyzing possible links between chemical structures and ADMET or adverse effects,\nbut this is limited by the size, quality, and heterogeneity of the data available from individual sources. Thus, large,\nclean and integrated databases of approved drug data, associated with fast and efficient predictive tools are desirable\nearly in the drug discovery process.\nDescription: We have built a relational database (IDAAPM) to integrate available approved drug data such as drug\napproval information, ADMET and adverse effects, chemical structures and molecular descriptors, targets, bioactivity\nand related references. The database has been coupled with a searchable web interface and modern data analytics\nplatform (KNIME) to allow data access, data transformation, initial analysis and further predictive modeling. Data were\nextracted from FDA resources and supplemented from other publicly available databases. Currently, the database\ncontains information regarding about 19,226 FDA approval applications for 31,815 products (small molecules and biologics)\nwith their approval history, 2505 active ingredients, together with as many ADMET properties, 1629 molecular\nstructures, 2.5 million adverse effects and 36,963 experimental drug-target bioactivity data.\nConclusion: IDAAPM is a unique resource that, in a single relational database, provides detailed information on\nFDA approved drugs including their ADMET properties and adverse effects, the corresponding targets with bioactivity\ndata, coupled with a data analytics platform. It can be used to perform basic to complex drug-target ADMET or\nadverse effects analysis and predictive modeling. IDAAPM is freely accessible at http://idaapm.helsinki.fi and can be\nexploited through a KNIME workflow connected to the database.
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