ArticleJournal of the American Chemical Society2017
Parametrization of Non-covalent Interactions for Transition State Interrogation Applied to Asymmetric Catalysis.
Article in Journal of the American Chemical Society, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 38 papers.
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Who cites it
38 citing papers in PubMed.
- Article
- Stereoselective Generalizations over Diverse Sets of Chiral Acids Enabled by Buried Volume.Journal of the American Chemical Society · 2026Article
- Studying Noncovalent Interactions in Molecular Systems with Machine Learning.Chemical reviews · 2025Review
- Interrogation of Enantioselectivity in the Photomediated Ring Contractions of Saturated Heterocycles.Journal of the American Chemical Society · 2025Article
- Computational Library Enables Pattern Recognition of Noncovalent Interactions and Application as a Modern Linear Free Energy Relationship.The Journal of organic chemistry · 2024Article
- Supramolecular Catalyzed Cascade Reduction of Azaarenes Interrogated via Data Science.Journal of the American Chemical Society · 2024Article
- Highly acidicChemical science · 2024Article
- Catalysing (organo-)catalysis: Trends in the application of machine learning to enantioselective organocatalysis.Beilstein journal of organic chemistry · 2024Review
- On the Role of Noncovalent Ligand-Substrate Interactions in Au(I) Catalysis: An Experimental and Computational Study of Protodeauration.ACS catalysis · 2022Article
- H-Bonded Counterion-Directed Enantioselective Au(I) Catalysis.Journal of the American Chemical Society · 2022Article
- Data Science Meets Physical Organic Chemistry.Accounts of chemical research · 2021Article
- Enantioselective α-Arylation of Ketones via a Novel Cu(I)-Bis(phosphine) Dioxide Catalytic System.Journal of the American Chemical Society · 2021Article
- Nucleophilicity PredictionThe Journal of organic chemistry · 2021Article
- The origin of the regiospecificity of acrolein dimerization.RSC advances · 2021Article
- Catalytic Enantioselective Synthesis of Difluorinated Alkyl Bromides.Journal of the American Chemical Society · 2020Article
- Enantioselective Intramolecular Allylic Substitution via Synergistic Palladium/Chiral Phosphoric Acid Catalysis: Insight into Stereoinduction through Statistical Modeling.Angewandte Chemie (International ed. in English) · 2020Article
- Molecular-level insight in supported olefin metathesis catalysts by combining surface organometallic chemistry, high throughput experimentation, and data analysis.Chemical science · 2020Article
- Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.Journal of the American Chemical Society · 2020Article
- What Does the Machine Learn? Knowledge Representations of Chemical Reactivity.Journal of chemical information and modeling · 2020Article
- Strategies for remote enantiocontrol in chiral gold(iii) complexes applied to catalytic enantioselective γ,δ-Diels-Alder reactions.Chemical science · 2020Article
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
The use of computed interaction energies and distances as parameters in multivariate correlations is introduced for postulating non-covalent interactions. This new class of descriptors affords multivariate correlations for two diverse catalytic systems with unique non-covalent interactions at the heart of each process. The presented methodology is validated by directly connecting the non-covalent interactions defined through empirical data set analyses to the computationally derived transition states.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.