SMiPoly: Generation of a Synthesizable Polymer Virtual Library Using Rule-Based Polymerization Reactions
M Ohno, Y Hayashi, Q Zhang, Y Kaneko… - … and Modeling, 2023 - ACS Publications
… homopolymers or alternation copolymers. The class of polyolefins is given by homopolymers
and binary alternating copolymers that … of homopolymers and binary alternating copolymers …
and binary alternating copolymers that … of homopolymers and binary alternating copolymers …
[PDF][PDF] Prediction of Plasticizer Property Based on an Improved Genetic Algorithm. Polymers 2022, 14, 4284
… expansion of plastics by reducing the glass transition temperature (Tg) [1–… Machine-learning-based
predictive modeling of glass transition temperatures: A case of polyhydroxyalkanoate …
predictive modeling of glass transition temperatures: A case of polyhydroxyalkanoate …
Sublimation temperature prediction of OLED materials: using machine learning
N Norinder - 2023 - diva-portal.org
… usage of SMILES in prediction of glass transition temperatures [16, … some transition
temperature, the actual transition being … tool in de-“blackbox”-ing ML models. Current deep …
temperature, the actual transition being … tool in de-“blackbox”-ing ML models. Current deep …
Manufacturing and Properties of Binary Blend from Bacterial Polyester Poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) and Poly(caprolactone) with Improved …
J Ivorra-Martinez, I Verdu, O Fenollar… - Polymers, 2020 - mdpi.com
… precise determination of the glass transition temperatures (T g … polyhydroxyalkanoates
(PHAs), are becoming very promising as there are more than 300 potential PHAs and copolymers. …
(PHAs), are becoming very promising as there are more than 300 potential PHAs and copolymers. …
A Combined Data Science and Simulation-Based Methodology for Efficient and Economic Prediction of Thermoplastic Performance for Automotive Industry
JL Thambi, SS Mohapatra, VJ Kavalakkat… - 2023 - sae.org
… trained only with unfilled and 30% glass fiber. Surrogate ML models are trained in this study
to … for filled SFRP polymer system or isotropic CAE modelling in the case of unfilled system. …
to … for filled SFRP polymer system or isotropic CAE modelling in the case of unfilled system. …
Green Synthesis of Bioplastics from Microalgae: A State-of-the-Art Review
AI Adetunji, M Erasmus - Polymers, 2024 - mdpi.com
… , CN; Lookman, T.; Marrone, BL Machine-learning-based predictive modeling of glass transition
temperatures: A case of polyhydroxyalkanoate homopolymers and copolymers. J. Chem. …
temperatures: A case of polyhydroxyalkanoate homopolymers and copolymers. J. Chem. …
A perspective on data-driven screening and discovery of polymer membranes for gas separation, from the molecular structure to the industrial performance
E Ricci, MG De Angelis - Reviews in Chemical Engineering, 2023 - degruyter.com
… of case studies, highlighting opportunities and limitations of ML-based methods compared to
conventional modelling … only as a function of temperature and pressure, without introducing …
conventional modelling … only as a function of temperature and pressure, without introducing …
Artificial-intelligence-led revolution of construction materials: From molecules to Industry 4.0
… and create alternative prediction models, including algorithms … of materials (eg, glass transition
temperature of polymeric … proactive in forecasting how the concrete temperature changes…
temperature of polymeric … proactive in forecasting how the concrete temperature changes…
QSPR modelling for intrinsic viscosity in polymer–solvent combinations based on density functional theory
S Wang, M Cheng, L Zhou, Y Dai… - SAR and QSAR in …, 2021 - Taylor & Francis
… a r 2 value of 0.95 for the training set and 0.93 for the prediction set. All statistical results
suggest that the established QSPR models have good predictability. Furthermore, a new test set …
suggest that the established QSPR models have good predictability. Furthermore, a new test set …
De novo design of polymer electrolytes with high conductivity using gpt-based and diffusion-based generative models
… Machine-learning-based predictive modeling of glass transition temperatures: A case of
polyhydroxyalkanoate homopolymers and copolymers. Journal of Chemical Information and …
polyhydroxyalkanoate homopolymers and copolymers. Journal of Chemical Information and …