Structure-based virtual screening for drug discovery: a problem-centric review.

"table ii commonly screened chemical databases database type no of compounds a website pubchem public 30 million http://pubchem ncbi nlm nih gov chembl public 1 million https://www ebi ac uk/chembldb/index php nci set public 140000 http://dtp nci nih gov/index html chemspider public 26 million http://www chemspider com cococo public 7 million http://cococo unimore it/tiki-index php tcm public 32000 http://tcm cmu edu tw zinc public 13 million http://zinc docking org chembridge commercial 700000 http://www chembridge com specs commercial 240000 http://www specs net asinex commercial 550000 http://www asinex com enamine commercial 1 7 million http://www enamine net maybridge commercial 56000 http://www maybridge com wombat commercial 263000 http://www sunsetmolecular com chemdiv commercial 1 5 million http://www chemdiv com chemnavigator commercial 55 3 million http://www chemnavigator com acd commercial 3870000 http://accelrys com/products/databases/sourcing/available-chemicals-directory html mddr commercial 150000 http://accelrys com/products/databases/bioactivity/mddr html a approximate numbers a more object-oriented and efficient approach might be designing a focused library for specific targets."

"We thank the Intramural Research Program of the National Institutes of Health (NIH), National Library of Medicine (NLM) for funding support."