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Local Scaffold Diversity-Contributed Generator for Discover..:

Weichen Bo ; Yangqin Duan ; Yurong Zou...
doi:10.1021/acs.jcim.3c01818.s012. , 2024

Link: https://doi.org/10.1021/acs.jcim.3c01818.s012

RT Journal
T1 <Title>Local Scaffold Diversity-Contributed Generator for Discovering Potential NLRP3 Inhibitors</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftunivoxfordfig:oai:figshare.com:article_25047481&Exemplar=1&LAN=DE
				
A1 Weichen Bo
A1 Yangqin Duan
A1 Yurong Zou
A1 Ziyan Ma
A1 Tao Yang
A1 Peng Wang
A1 Tao Guo
A1 Zhiyuan Fu
A1 Jianmin Wang
A1 Linchuan Fan
A1 Jie liu
A1 Taijin Wang
A1 Lijuan Chen
YR 2024
K1 Biophysics
K1 Biochemistry
K1 Genetics
K1 Pharmacology
K1 Biotechnology
K1 Ecology
K1 Space Science
K1 Environmental Sciences not elsewhere classified
K1 Biological Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 containing protein 3
K1 become crucial tools
K1 present 12 molecules
K1 local scaffold diversity
K1 enhance scaffold diversity
K1 a22 </ b
K1 a14 </ b
K1 satisfying multiple constraints
K1 novel nlrp3 inhibitors
K1 50 </ sub
K1 scaffold diversity
K1 multiple constraints
K1 f </
K1 nlrp3 )
K1 molecules generated
K1 inhibitors targeting
K1 work contributes
K1 wet experiments
K1 selected scaffolds
K1 pyrin domain
K1 oral bioavailability
K1 multiobjective optimization
K1 mice )
K1 lsdc )
K1 like receptor
K1 integrating ai
K1 high (<
K1 herein propose
K1 current models
K1 contributed generator
K1 art methods
K1 43 nm
K1 1 nm
JF doi:10.1021/acs.jcim.3c01818.s012
LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.3c01818.s012
DO https://doi.org/10.1021/acs.jcim.3c01818.s012
SF ELIB - SuUB Bremen

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