AIMC Topic: Polymers
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Accelerating Polymer Discovery with Uncertainty-Guided PGCNN: Explainable AI for Predicting Properties and Mechanistic Insights.
Journal of chemical information and modeling
Jul 2, 2024
Deep learning holds great potential for expediting the discovery of new polymers from the vast chemical space. However, accurately predicting polymer properties for practical applications based on their monomer composition has long been a challenge. ...
Machine Learning-Assisted High-Throughput Identification and Quantification of Protein Biomarkers with Printed Heterochains.
Journal of the American Chemical Society
Jul 1, 2024
Advanced in vitro diagnosis technologies are highly desirable in early detection, prognosis, and progression monitoring of diseases. Here, we engineer a multiplex protein biosensing strategy based on the tunable liquid confinement self-assembly of mu...
Machine learning in drug delivery.
Journal of controlled release : official journal of the Controlled Release Society
Jun 26, 2024
For decades, drug delivery scientists have been performing trial-and-error experimentation to manually sample parameter spaces and optimize release profiles through rational design. To enable this approach, scientists spend much of their career learn...
Synergistic Polymer Blending Informs Efficient Terpolymer Design and Machine Learning Discerns Performance Trends for pDNA Delivery.
Bioconjugate chemistry
Jun 26, 2024
Cationic polymers offer an alternative to viral vectors in nucleic acid delivery. However, the development of polymer vehicles capable of high transfection efficiency and minimal toxicity has remained elusive, and continued exploration of the vast de...
The role of artificial intelligence and data science in nanoparticles development: a review.
Nanomedicine (London, England)
Jun 21, 2024
Artificial intelligence has revolutionized many sectors with unparalleled predictive capabilities supported by machine learning (ML). So far, this tool has not been able to provide the same level of development in pharmaceutical nanotechnology. This ...
High Glass Transition Temperature Fluorinated Polymers Based on Transfer Learning with Small Experimental Data.
Macromolecular rapid communications
Jun 18, 2024
Machine learning can be used to predict the properties of polymers and explore vast chemical spaces. However, the limited number of available experimental datasets hinders the enhancement of the predictive performance of a model. This study proposes ...
Evaluation of a Voltametric E-Tongue Combined with Data Preprocessing for Fast and Effective Machine Learning-Based Classification of Tomato Purées by Cultivar.
Sensors (Basel, Switzerland)
Jun 2, 2024
The potential of a voltametric E-tongue coupled with a custom data pre-processing stage to improve the performance of machine learning techniques for rapid discrimination of tomato purées between cultivars of different economic value has been investi...
POxload: Machine Learning Estimates Drug Loadings of Polymeric Micelles.
Molecular pharmaceutics
May 28, 2024
Block copolymers, composed of poly(2-oxazoline)s and poly(2-oxazine)s, can serve as drug delivery systems; they form micelles that carry poorly water-soluble drugs. Many recent studies have investigated the effects of structural changes of the polyme...
3D printed PEDOT:PSS-based conducting and patternable eutectogel electrodes for machine learning on textiles.
Biomaterials
May 24, 2024
The proliferation of medical wearables necessitates the development of novel electrodes for cutaneous electrophysiology. In this work, poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) is combined with a deep eutectic solvent (DES) a...
Machine Learning for Polymer Design to Enhance Pervaporation-Based Organic Recovery.
Environmental science & technology
May 14, 2024
Pervaporation (PV) is an effective membrane separation process for organic dehydration, recovery, and upgrading. However, it is crucial to improve membrane materials beyond the current permeability-selectivity trade-off. In this research, we introduc...
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