[PDF][PDF] Polymer informatics with multi-task learning
Modern data-driven tools are transforming application-specific polymer development cycles.
Surrogate models that can be trained to predict properties of polymers are becoming …
Surrogate models that can be trained to predict properties of polymers are becoming …
Machine learning for polymeric materials: an introduction
Polymers are incredibly versatile materials and have become ubiquitous. Increasingly,
researchers are using data science and polymer informatics to design new materials and …
researchers are using data science and polymer informatics to design new materials and …
Polymer informatics at scale with multitask graph neural networks
Artificial intelligence-based methods are becoming increasingly effective at screening
libraries of polymers down to a selection that is manageable for experimental inquiry. The …
libraries of polymers down to a selection that is manageable for experimental inquiry. The …
Copolymer informatics with multitask deep neural networks
Polymer informatics tools have been recently gaining ground to efficiently and effectively
develop, design, and discover new polymers that meet specific application needs. So far …
develop, design, and discover new polymers that meet specific application needs. So far …
Representing polymers as periodic graphs with learned descriptors for accurate polymer property predictions
ER Antoniuk, P Li, B Kailkhura… - Journal of Chemical …, 2022 - ACS Publications
Accurately predicting new polymers' properties with machine learning models apriori to
synthesis has potential to significantly accelerate new polymers' discovery and …
synthesis has potential to significantly accelerate new polymers' discovery and …
[HTML][HTML] Polymer graph neural networks for multitask property learning
O Queen, GA McCarver, S Thatigotla… - npj Computational …, 2023 - nature.com
The prediction of a variety of polymer properties from their monomer composition has been a
challenge for material informatics, and their development can lead to a more effective …
challenge for material informatics, and their development can lead to a more effective …
Polymer genome: a data-powered polymer informatics platform for property predictions
The recent successes of the Materials Genome Initiative have opened up new opportunities
for data-centric informatics approaches in several subfields of materials research, including …
for data-centric informatics approaches in several subfields of materials research, including …
[HTML][HTML] TransPolymer: a Transformer-based language model for polymer property predictions
Accurate and efficient prediction of polymer properties is of great significance in polymer
design. Conventionally, expensive and time-consuming experiments or simulations are …
design. Conventionally, expensive and time-consuming experiments or simulations are …
Potentials and challenges of polymer informatics: exploiting machine learning for polymer design
There has been rapidly growing demand of polymeric materials coming from different
aspects of modern life because of the highly diverse physical and chemical properties of …
aspects of modern life because of the highly diverse physical and chemical properties of …
A review on the application of molecular descriptors and machine learning in polymer design
Polymers are an important class of materials with vast arrays of physical and chemical
properties and have been widely used in many applications and industrial products …
properties and have been widely used in many applications and industrial products …