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Found 2 result(s)

Network Data Exchange

NDEx

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The NDEx Project provides an open-source framework where scientists and organizations can share, store, manipulate, and publish biological network knowledge. The NDEx Project maintains a free, public website; alternatively, users can also decide to run their own copies of the NDEx Server software in cases where the stored networks must be kept in a highly secure environment (such as for HIPAA compliance) or where high application load is incompatible with a shared public resource.

ChEMBL

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ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. Additional data on clinical progress of compounds is being integrated into ChEMBL at the current time.