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Bioplastic design using multitask deep neural networks
DOI:10.1038/s43246-022-00319-2.png)
摘要
En 中文
Non-degradable plastic waste jeopardizes our environment, yet our modern lifestyle and current technologies are impossible to sustain without plastics. Bio-synthesized and biodegradable alternatives such as polyhydroxyalkanoates (PHAs) have the potential to replace large portions of the world's plastic supply with cradle-to-cradle materials, but their chemical complexity and diversity limit traditional resource-intensive experimentation. Here, we develop multitask deep neural network property predictors using available experimental data for a diverse set of nearly 23,000 homo- and copolymer chemistries. Using the predictors, we identify 14 PHA-based bioplastics from a search space of almost 1.4 million candidates which could serve as potential replacements for seven petroleum-based commodity plastics that account for 75% of the world's yearly plastic production. We also discuss possible synthesis routes for the identified promising materials.
Keyword:
GLASS-TRANSITION TEMPERATURE
POLAR SURFACE-AREA
POLYMER INFORMATICS
POLYHYDROXYALKANOATE
COPOLYMERS
PLASTICS
PHAS
期刊
C
IF:
9.6
论文数:
1.4K
被引数:
4.3K
机构
引用论文
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