ArticleJournal of the American Chemical Society2025
Developing Pharmaceutically Relevant Pd-Catalyzed C-N Coupling Reactivity Models Leveraging High-Throughput Experimentation.
Article in Journal of the American Chemical Society, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
16 citing papers in PubMed.
- Advancing Drug Discovery through Academia-Industry Collaborations: Lessons from Merck Discovery Chemistry Partnerships.ACS central science · 2026Review
- Fluoride-activated silicon catalysis enables C(spChemical science · 2026Article
- Robust out-of-distribution prediction of Buchwald-Hartwig reactions.Nature computational science · 2026Article
- A machine learning-based workflow for transaminase selection.Chemical science · 2026Article
- A 50,688-Reaction Data Set Reveals General Ligands and Mechanistic Diversity in C-N Couplings.Journal of the American Chemical Society · 2026Article
- Accelerating Reaction Discovery through AI-HTE Integration: Nitrene-Mediated C-O Coupling as a Validated Case Study.JACS Au · 2026Article
- Frugal Sampling Strategies for Navigating Complex Reaction Spaces.Organic process research & development · 2026Article
- Yield Prediction of Organic Reactions in Biased Data Sets via Positive-Unlabeled Learning.Journal of the American Chemical Society · 2026Article
- Diversification of Pharmaceuticals via Late-Stage Hydrazination.ACS catalysis · 2025Article
- Developing Pharmaceutically Relevant Pd-Catalyzed C-N Coupling Reactivity Models Leveraging High-Throughput Experimentation.Journal of the American Chemical Society · 2025Article
- Recommending reaction conditions with label ranking.Chemical science · 2025Article
- Incorporating Synthetic Accessibility in Drug Design: Predicting Reaction Yields of Suzuki Cross-Couplings by Leveraging AbbVie's 15-Year Parallel Library Data Set.Journal of the American Chemical Society · 2024Article
- Dataset Design for Building Models of Chemical Reactivity.ACS central science · 2023Review
- Translating Planar Heterocycles into Three-Dimensional Analogs by Photoinduced Hydrocarboxylation.Angewandte Chemie (International ed. in English) · 2023Article
- A Brief Introduction to Chemical Reaction Optimization.Chemical reviews · 2023Review
- Machine Learning C-N Couplings: Obstacles for a General-Purpose Reaction Yield Prediction.ACS omega · 2023Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
10 authors.
Funding
Abstract
This manuscript presents machine learning models for Pd-catalyzed C-N couplings constructed using a large, pharmaceutically relevant, structurally diverse dataset (4204 unique products) generated
Indexed as
Identifiers
What OpenQuestion holds
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.