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Diversity library

eagle-i ID

http://eagle-i.itmat.upenn.edu/i/00000154-4f18-6b65-c48b-9f5280000000

Resource Type

  1. Chemical library

Properties

  1. Library Source
    ChemBridge Corporation
  2. Library Source
    ChemDiv, Inc.
  3. Resource Description
    "Chembridge (32,000 total): 20,000 from Core set and 12,000 from Express Pick set ChemDiv (12,000 total): SMART library" "• Started with ~200,000 compounds • Used modified Lipinski parameters to filter the set. • Removed Reactive groups (e.g. Michael acceptors) and compounds with undesirable functionalities. • Duplicates were removed. • Lead Finder Clustering and MACCS fingerprints were generated. • PAINS1, PAINS2 and PAINS3 substructure filters were applied. • REOS filters were applied. • Property Based Selection of 50K cpds was performed • Vendor re-supply validated"
  4. Website(s)
    http://www.med.upenn.edu/cores/assets/user-content/documents/HTSC_overview_27May2015.pdf
  5. Library Count
    44,000
  6. Location
    High-Throughput Screening Core (Penn)
 
RDFRDF
 
Provenance Metadata About This Resource Record
  1. workflow state
    Published
  2. contributor
    fcoldren
  3. created
    2016-04-25T16:28:58.141-04:00
  4. creator
    fcoldren
  5. modified
    2016-04-25T16:29:49.691-04:00

Copyright © 2016 by the President and Fellows of Harvard College
The eagle-i Consortium is supported by NIH Grant #5U24RR029825-02 / Copyright 2016