ArticleJournal of chemical information and modeling2021
Database Independent Automated Structure Elucidation of Organic Molecules Based on IR,
Article in Journal of chemical information and modeling, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 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
8 citing papers in PubMed.
- End-to-end multimodal structure elucidation from raw spectra combining contrastive learning and evolutionary algorithms.Nature communications · 2026Article
- Towards automatically verifying chemical structures: the powerful combination ofChemical science · 2025Article
- Machine-Learning Approach to Identify Organic Functional Groups from FT-IR and NMR Spectral Data.ACS omega · 2025Article
- Review
- Sherlock-A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR Data.Molecules (Basel, Switzerland) · 2023Article
- Sampling CASE Application for the Quality Control of Published Natural Product Structures.Molecules (Basel, Switzerland) · 2021Article
- A framework for automated structure elucidation from routine NMR spectra.Chemical science · 2021Article
- Incorporation ofMolecules (Basel, Switzerland) · 2021Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Herein, we report a computational algorithm that follows a spectroscopist-driven elucidation process of the structure of an organic molecule based on IR,
Indexed as
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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.