ArticleChemical science2021
Real-time prediction of
Article in Chemical science, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 52 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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
52 citing papers in PubMed.
- Resolving Chemically InequivalentJACS Au · 2026Article
- Predicting molecular structure from sparse NMR data, proof-of-concept using a graph neural network.Digital discovery · 2026Article
- MolDeTr: A Chemistry-Informed Deep Learning Model for Next-Generation Automated Analysis of 1H NMR Spectra.Analytical chemistry · 2026Article
- Quantitative Prediction of Exchangeable Proton Chemical Shifts.Nature communications · 2026Article
- End-to-end molecular structure elucidation from multimodal NMR spectra images using vision transformers.Chemical science · 2026Article
- DP5 without DFT: uncertainty-calibrated graph neural net accelerates structure confirmationChemical science · 2026Article
- Efficient Machine Learning Prediction of Solvent-DependentJournal of computational chemistry · 2026Article
- Reaction Products Revised and Mechanisms Revisited with Machine Learning-Augmented Computational NMR.The Journal of organic chemistry · 2026Article
- A light-weight Graph Neural Network for the prediction ofJournal of cheminformatics · 2026Article
- Hybrid Deep Learning Model for EI-MS Spectra Prediction.International journal of molecular sciences · 2026Article
- Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model.Angewandte Chemie (International ed. in English) · 2026Article
- NMRexp: A database of 3.3 million experimental NMR spectra.Scientific data · 2025Article
- A fragment based approach towards curating, comparing and developing machine learning models applied in photochemistry.Chemical science · 2025Article
- Towards automatically verifying chemical structures: the powerful combination ofChemical science · 2025Article
- Impact of dispersion correction in DFT-enhanced anisotropic NMR for stereochemical elucidation of flexible marine natural products.Marine life science & technology · 2025Article
- Exploring the Frontiers of Computational NMR: Methods, Applications, and Challenges.Chemical reviews · 2025Review
- Computation ofJournal of molecular modeling · 2025Article
- Synthetic Biology in Natural Product Biosynthesis.Chemical reviews · 2025Review
- Computational tools for the prediction of site- and regioselectivity of organic reactions.Chemical science · 2025Review
- TransPeakNet for solvent-aware 2D NMR prediction via multi-task pre-training and unsupervised learning.Communications chemistry · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Nuclear magnetic resonance (NMR) is one of the primary techniques used to elucidate the chemical structure, bonding, stereochemistry, and conformation of organic compounds. The distinct chemical shifts in an NMR spectrum depend upon each atom's local chemical environment and are influenced by both through-bond and through-space interactions with other atoms and functional groups. The
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.