Bioplastic design using multitask deep neural networks

C Kuenneth, J Lalonde, BL Marrone… - Communications …, 2022 - nature.com
Communications Materials, 2022nature.com
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 …
Abstract
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.
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