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Title: Drug scaffolds and their structural relationships      
dateReleased:
02-09-2015
privacy:
information not avaiable
aggregation:
instance of dataset
dateCreated:
02-09-2015
refinement:
raw
ID:
doi:10.5281/ZENODO.14947
creators:
Hu, Ye
Bajorath, Jürgen
availability:
available
types:
other
description:
A list of 779 scaffolds extracted from approved drugs is provided. For each scaffold, the number of approved drugs it represented, the number and the list of targets it was annotated with and the SMILES representation is given. In addition, pairs of drug scaffolds that formed substructure, CSK equivalence, MMP and RECAP-MMP relationships are provided in separate files. Furthermore, drug scaffold pairs that displayed distinct activity profiles and formed one or more types of structural relationships are given.
accessURL: https://doi.org/10.5281/ZENODO.14947
storedIn:
Zenodo
qualifier:
not compressed
format:
HTML
accessType:
landing page
authentication:
none
authorization:
none
abbreviation:
ZENODO
homePage: https://zenodo.org/
ID:
SCR:004129
name:
ZENODO

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