Machine Learning‐Guided Discovery of Factors Governing Deformation Twinning in Mg–Y Alloys
Sign Up to like & getrecommendations! Published in 2025 at "Advanced Engineering Materials"
DOI: 10.1002/adem.202402485
Abstract: Magnesium (Mg) alloys are promising lightweight structural materials whose limited strength and room‐temperature ductility limit applications. Precise control of deformation‐induced twinning through microstructural alloy design is being investigated to overcome these deficiencies. Motivated by the… read more here.
Keywords: deformation; twinning alloys; machine learning; learning guided ... See more keywords
Autoparty: Machine Learning-Guided Visual Inspection of Molecular Docking Results
Sign Up to like & getrecommendations! Published in 2025 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.5c00850
Abstract: Human inspection of potential drug compounds is crucial in the virtual drug screening pipeline. However, there is a pressing need to accelerate this process, as the number of molecules humans can realistically examine is extremely… read more here.
Keywords: visual inspection; autoparty machine; machine learning; learning guided ... See more keywords
Machine Learning Guided Atom Mapping of Metabolic Reactions
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00434
Abstract: Atom mapping of a chemical reaction is a mapping between the atoms in the reactant molecules and the atoms in the product molecules. It encodes the underlying reaction mechanism and, as such, constitutes essential information… read more here.
Keywords: machine learning; learning guided; guided atom; reaction ... See more keywords
Monitoring Amyloidogenesis with a 3D Deep-Learning-Guided Biolaser Imaging Array.
Sign Up to like & getrecommendations! Published in 2022 at "Nano letters"
DOI: 10.1021/acs.nanolett.2c03148
Abstract: Amyloidogenesis is a critical hallmark for many neurodegenerative diseases and drug screening; however, identifying intermediate states of protein aggregates at an earlier stage remains challenging. Herein, we developed a peptide-encapsulated droplet microlaser to monitor the… read more here.
Keywords: monitoring amyloidogenesis; amyloidogenesis; amyloidogenesis deep; learning guided ... See more keywords
Machine-Learning-Guided Identification of Coordination Polymer Ligands for Crystallizing Separation of Cs/Sr.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c05272
Abstract: Separation of Cs/Sr is one of many coordination-chemistry-centered processes in the grand scheme of spent nuclear fuel reprocessing, a critical link for a sustainable nuclear energy industry. To deploy a crystallizing Cs/Sr separation technology, we… read more here.
Keywords: coordination; machine learning; learning guided; separation ... See more keywords
Machine Learning Guided Batched Design of a Bacterial Ribosome Binding Site
Sign Up to like & getrecommendations! Published in 2022 at "ACS Synthetic Biology"
DOI: 10.1021/acssynbio.2c00015
Abstract: Optimisation of gene expression levels is an essential part of the organism design process. Fine control of this process can be achieved through engineering transcription and translation control elements, including the ribosome binding site (RBS).… read more here.
Keywords: machine learning; ribosome binding; design; learning guided ... See more keywords
Machine-Learning-Guided Discovery of Electrochemical Reactions
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c08997
Abstract: The molecular structures synthesizable by organic chemists dictate the molecular functions they can create. The invention and development of chemical reactions are thus critical for chemists to access new and desirable functional molecules in all… read more here.
Keywords: electrochemical reactions; chemistry; machine learning; learning guided ... See more keywords
Accelerated enzyme engineering by machine-learning guided cell-free expression
Sign Up to like & getrecommendations! Published in 2024 at "Nature Communications"
DOI: 10.1038/s41467-024-55399-0
Abstract: Enzyme engineering is limited by the challenge of rapidly generating and using large datasets of sequence-function relationships for predictive design. To address this challenge, we developed a machine learning (ML)-guided platform that integrates cell-free DNA… read more here.
Keywords: enzyme engineering; cell free; guided cell; machine learning ... See more keywords
Ultrasensitive plasma-based monitoring of tumor burden using machine learning-guided signal enrichment
Sign Up to like & getrecommendations! Published in 2024 at "Nature medicine"
DOI: 10.1038/s41591-024-03040-4
Abstract: In solid tumor oncology, circulating tumor DNA (ctDNA) is poised to transform care through accurate assessment of minimal residual disease (MRD) and therapeutic response monitoring. To overcome the sparsity of ctDNA fragments in low tumor… read more here.
Keywords: machine learning; mrd; tumor; enrichment ... See more keywords
Machine learning guided design of Ce-rich rare earth permanent magnets with outstanding comprehensive magnetic properties
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Materials Chemistry C"
DOI: 10.1039/d5tc03056k
Abstract: The development of high-performance permanent magnets that utilize abundant rare earth elements is essential for addressing supply chain vulnerabilities in critical applications. This study presents a comprehensive machine learning framework... read more here.
Keywords: learning guided; rare earth; permanent magnets; machine learning ... See more keywords
Deep learning guided optimization of human antibody against SARS-CoV-2 variants with broad neutralization
Sign Up to like & getrecommendations! Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2122954119
Abstract: Significance SARS-CoV-2 continues to evolve through emerging variants, more frequently observed with higher transmissibility. Despite the wide application of vaccines and antibodies, the selection pressure on the Spike protein may lead to further evolution of… read more here.
Keywords: guided optimization; deep learning; sars cov; learning guided ... See more keywords