Polymer informatics beyond homopolymers
Polymers are diverse and versatile materials that have met a wide range of material
application demands. They come in several flavors and architectures (eg, homopolymers …
application demands. They come in several flavors and architectures (eg, homopolymers …
Polymer informatics for QSPR prediction of tensile mechanical properties. Case study: Strength at break
The artificial intelligence-based prediction of the mechanical properties derived from the
tensile test plays a key role in assessing the application profile of new polymeric materials …
tensile test plays a key role in assessing the application profile of new polymeric materials …
Machine Learning Prediction of Antibacterial Activity of Block Copolymers
V Kundi, Y Jin, A Chandrasekaran… - ACS Applied Nano …, 2024 - ACS Publications
As the problem of antibiotic resistance continues to escalate, there is an immediate need for
fresh antimicrobial strategies. Traditional antibiotic development processes are time …
fresh antimicrobial strategies. Traditional antibiotic development processes are time …
Grinding wheel specification cybernetic recommendation with multi-task multi-imbalanced learning in smart manufacturing system
KC Yao, TL Chen, JC Chen, CR Li - Advanced Engineering Informatics, 2024 - Elsevier
Over the years, the grinding wheels industry has played a crucial role in mechanical
engineering. Grinding wheel specification is composed of various factors such as abrasive …
engineering. Grinding wheel specification is composed of various factors such as abrasive …
Amphiphilic Zwitterionic Bioderived Block Copolymers from Glutamic Acid and Cholesterol–Ability to Form Nanoparticles and Serve as Vectors for the Delivery of 6 …
In this work, the straightforward synthesis of amphiphilic zwitterionic bioderived block
copolymers (BCPs) using glutamic acid (Glu) and cholesterol (Chol) as building blocks are …
copolymers (BCPs) using glutamic acid (Glu) and cholesterol (Chol) as building blocks are …
Probabilistic deep learning approach for targeted hybrid organic-inorganic perovskites
We develop a probabilistic machine learning model and use it to screen for new hybrid
organic-inorganic perovskites (HOIPs) with targeted electronic band gap. The data set used …
organic-inorganic perovskites (HOIPs) with targeted electronic band gap. The data set used …
Machine learning-guided discovery of polymer membranes for CO2 separation with genetic algorithm
Y Basdogan, DR Pollard, T Shastry… - Journal of Membrane …, 2024 - Elsevier
Designing polymer membranes with high gas permeability and selectivity is a difficult multi-
task constrained problem due to the trade-off between these two properties. In this work, we …
task constrained problem due to the trade-off between these two properties. In this work, we …
Chemical library generation of polymer acceptors for organic solar cells with higher electron affinity
In this study, an intricate machine learning assisted framework is introduced for the
designing of polymer acceptors. Machine learning (ML) models are trained to predict the …
designing of polymer acceptors. Machine learning (ML) models are trained to predict the …
How can polydispersity information be integrated in the QSPR modeling of mechanical properties?
F Cravero, SA Schustik, MJ Martínez… - … and Technology of …, 2022 - Taylor & Francis
Polymer informatics is an emerging discipline that has benefited from the strong
development that data science has experienced over the last decade. Machine learning …
development that data science has experienced over the last decade. Machine learning …
Polymer design with enhanced crystallization tendency aided by machine learning
E Hussain, MH Tahir, DA Alshammari, S Naeem… - Physica B: Condensed …, 2024 - Elsevier
Designing the materials with desirable properties is very difficult task. Experimental
approaches are expensive and time consuming. Machine learning (ML) guided screening is …
approaches are expensive and time consuming. Machine learning (ML) guided screening is …