PharmaTrek: A Semantic Web Explorer for Open Innovation in Multitarget Drug Discovery

摘要

The realisation that vast amounts of pharmacological data for small molecules are continuously being reported in bibliographic sources has promoted in recent years the rise of initiatives aiming at collecting, organising, and storing these data together with chemical structures. Today, there are numerous databases that connect hundreds of thousands of small molecules to thousands of biological responses of their interaction with macromolecules. Some of these repositories, such as GLIDA, PDSP, BindingDB, IU-PHARdb, PubChem, ChEMBL, and DrugBank, make all data available in the public domain. In addition, some others, such as BioPrint, Integrity, Wombat, and GOSTAR, offer access to their data only through licensing from the respective commercial providers.