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Title: Polyuniverse: generation of a large-scale polymer library using rule-based polymerization reactions for polymer informatics
We collected extensive small molecule compounds from GDB-17, GDB-13, and PubChem and selected polymerization reaction pathways for eight types of polymers, to generate hundreds of quadrillions of hypothetical polymer structures.  more » « less
Award ID(s):
2332276
PAR ID:
10571092
Author(s) / Creator(s):
; ;
Publisher / Repository:
RSC
Date Published:
Journal Name:
Digital Discovery
Volume:
3
Issue:
12
ISSN:
2635-098X
Page Range / eLocation ID:
2465 to 2478
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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