ArticleChemical science2025
Recommending reaction conditions with label ranking.
Article in Chemical science, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 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
2 citing papers in PubMed.
- Data-driven recommendation of agents, temperature, and equivalence ratios for organic synthesis.Chemical science · 2025Article
- Predicting reaction conditions: a data-driven perspective.Chemical science · 2025Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Pinpointing effective reaction conditions can be challenging, even for reactions with significant precedent. Herein, models that rank reaction conditions are introduced as a conceptually new means for prioritizing experiments, distinct from the mainstream approach of yield regression. Specifically, label ranking, which operates using input features only from substrates, will be shown to better generalize to new substrates than prior models. Evaluation on practical reaction condition selection scenarios - choosing from either 4 or 18 conditions and datasets with or without missing reactions - demonstrates label ranking's utility. Ranking aggregation through Borda's method and relative simplicity are key features of label ranking to achieve consistent high performance.
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.