Evidence map›Paper›PMID 40951777›Full record

ArticleChemical science2025

Data-driven recommendation of agents, temperature, and equivalence ratios for organic synthesis.

Xiaoqi Sun, Jiannan Liu, Babak Mahjour, Klavs F Jensen, Connor W Coley

Abstract read
In one paragraph

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 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

4 citing papers in PubMed.

  1. Transforming Molecular Synthesis With Large Language Models.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026
    Review
  2. Review
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Xiaoqi SunDepartment of Chemical Engineering, Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139 USA ccoley@mit.edu.ORCID https://orcid.org/0000-0002-1965-8967
Jiannan LiuDepartment of Chemical Engineering, Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139 USA ccoley@mit.edu.ORCID https://orcid.org/0000-0002-2083-4657
Babak MahjourDepartment of Chemical Engineering, Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139 USA ccoley@mit.edu.ORCID https://orcid.org/0000-0002-8225-6514
Klavs F JensenDepartment of Chemical Engineering, Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139 USA ccoley@mit.edu.ORCID https://orcid.org/0000-0001-7192-580X
Connor W ColeyDepartment of Chemical Engineering, Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139 USA ccoley@mit.edu.ORCID https://orcid.org/0000-0002-8271-8723

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The identification of suitable reaction conditions is a crucial step in organic synthesis. Computer-aided synthesis planning promises to improve the efficiency of chemistry and enable robot-assisted workflows, but there remains a gap in bridging computational tools with experimental execution due to the challenge of reaction condition prediction. The conditions used to carry out a reaction consist of qualitative details, such as the discrete identities of "above-the-arrow" agents (catalysts, additives, solvents,

Identifiers

PMID40951777
PMCPMC12426769

What OpenQuestion holds

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Registered trials

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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.