ArticleNature communications2023
Bayesian-optimization-assisted discovery of stereoselective aluminum complexes for ring-opening polymerization of racemic lactide.
Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
What it found
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Who cites it
23 citing papers in PubMed.
- Stereosequence- and topology-controlled synthesis of cyclic polyesters.Nature communications · 2026Article
- Interpretable self-driving sputtering epitaxy reveals human-usable growth rules for β-GaNature communications · 2026Article
- Global-scale patterns of bioavailable soil phosphorus driven by agricultural fertilization.iScience · 2026Article
- Integrating High-Throughput DFT and Machine Learning for Predictive Design of Hydrogen-Donor Solvents in Coal Liquefaction.ACS omega · 2026Article
- Bayesian Optimization of Catalysis with In-Context Learning.ACS central science · 2026Article
- Staged Diversity-Constrained Machine Learning for High-Dimensional Reaction Condition Optimization.Angewandte Chemie (International ed. in English) · 2026Article
- AI-enabled, QbD-aligned Predictive, and Sustainable Design of Natural Polymer-based Drug Delivery Systems.AAPS PharmSciTech · 2026Review
- Understanding and Enhancing Stereoselective Polymerization Using a Data Science Approach.Journal of the American Chemical Society · 2025Article
- The Alchemist, the Scientist, and the Robot: Exploring the Potential of Human-AI Symbiosis in Self-Driving Polymer Laboratories.Macromolecular rapid communications · 2025Review
- Exploiting Machine Learning and Automated Synthesis in Continuous Flow for Process Optimization of the Organocatalyzed Ring-Opening Polymerization of l‑Lactide.ACS polymers Au · 2025Article
- Bayesian learning-assisted catalyst discovery for efficient iridium utilization in electrochemical water splitting.Science advances · 2025Article
- Advancing genetic engineering with active learning: theory, implementations and potential opportunities.Briefings in bioinformatics · 2025Review
- High-performance recyclable polymers enabled by stereo- and sequence-controlled polymerization.Nature chemistry · 2025Article
- Bayesian Meta-Learning for Few-Shot Reaction Outcome Prediction of Asymmetric Hydrogenation of Olefins.Angewandte Chemie (International ed. in English) · 2025Article
- Using Classifiers To Predict Catalyst Design for Polyketone Microstructure.Journal of the American Chemical Society · 2025Article
- Stereoselectivity Control Interplay in Racemic Lactide Polymerization by Achiral Al-Salen Complexes.Macromolecular rapid communications · 2025Article
- Article
- Automation and machine learning augmented by large language models in a catalysis study.Chemical science · 2024Review
- Ring Opening Polymerization of Six- and Eight-Membered Racemic Cyclic Esters for Biodegradable Materials.International journal of molecular sciences · 2024Review
- Mechanism of Alternating Poly(lactic-ACS catalysis · 2024Article
Corrections and comments
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Authors and funding
8 authors.
Funding
Abstract
Stereoselective ring-opening polymerization catalysts are used to produce degradable stereoregular poly(lactic acids) with thermal and mechanical properties that are superior to those of atactic polymers. However, the process of discovering highly stereoselective catalysts is still largely empirical. We aim to develop an integrated computational and experimental framework for efficient, predictive catalyst selection and optimization. As a proof of principle, we have developed a Bayesian optimization workflow on a subset of literature results for stereoselective lactide ring-opening polymerization, and using the algorithm, we identify multiple new Al complexes that catalyze either isoselective or heteroselective polymerization. In addition, feature attribution analysis uncovers mechanistically meaningful ligand descriptors, such as percent buried volume (%V
Identifiers
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Registered trials
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