PubChem3D added as a new layer
A new layer called PubChem3D is added to PubChem to assist with
interrelating diverse chemical structures with similar biological efficacies
against targets. As a part of this, PubChem computes a 3-D conformer model
description for records in the PubChem Compound database when possible (92% of
all records when considering the parent compound of salts). A pre-computed
search per compound record gives immediate access to a set of 3-D similar
compounds (called "Similar Conformers") in PubChem and their respective
superpositions. Systematic augmentation of PubChem resources to include a 3-D
layer provides users with new capabilities to search, subset, visualize,
analyze, and download data. For additional information, please visit the
PubChem3D thematic series with the (BMC) Journal of Cheminformatics: http://www.jcheminf.com/series/pubchem3d.
Source: PubChem News - Category: Chemistry Authors: PubChem Source Type: news
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