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Large-Scale Glass-Transition Temperature Prediction with an..:

Zheng Long ; Hongmei Lu ; Zhimin Zhang
https://figshare.com/articles/journal_contribution/Large-Scale_Glass-Transition_Temperature_Prediction_with_an_Equivariant_Neural_Network_for_Screening_Polymers/25083851. , 2024

Link: https://doi.org/10.1021/acsomega.3c06843.s001

RT Journal
T1 <Title>Large-Scale Glass-Transition Temperature Prediction with an Equivariant Neural Network for Screening Polymers</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonianinsp:oai:figshare.com:article_25083851&Exemplar=1&LAN=DE
				
A1 Zheng Long
A1 Hongmei Lu
A1 Zhimin Zhang
YR 2024
K1 Biophysics
K1 Biochemistry
K1 Medicine
K1 Biotechnology
K1 Developmental Biology
K1 Plant Biology
K1 Biological Sciences not elsewhere classified
K1 Mathematical Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 utilizing morgan fingerprints
K1 specified lie group
K1 practically infinite chemical
K1 polymer informatics aims
K1 mean absolute error
K1 screen promising candidates
K1 named data set_tg
K1 tg performs better
K1 standard data set
K1 scale virtual screening
K1 implausible repeating units
K1 equivariant neural network
K1 800 generated polymers
K1 2 </ sup
K1 new filtering method
K1 accelerate materials design
K1 transition temperature prediction
K1 data set_tg
K1 transition temperature
K1 repeating units
K1 new method
K1 materials design
K1 new materials
K1 screening polymers
K1 scale glass
K1 reasonable candidates
K1 r </
K1 >< sup
K1 validation set
K1 test set
K1 materials science
K1 ∼ 6
K1 ∼ 30
K1 ∼ 24
K1 thus used
K1 tg model
K1 significantly reduced
K1 reach 0
K1 rational discovery
K1 property prediction
K1 predict glass
JF https://figshare.com/articles/journal_contribution/Large-Scale_Glass-Transition_Temperature_Prediction_with_an_Equivariant_Neural_Network_for_Screening_Polymers/25083851
LK http://dx.doi.org/https://doi.org/10.1021/acsomega.3c06843.s001
DO https://doi.org/10.1021/acsomega.3c06843.s001
SF ELIB - SuUB Bremen

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