Evidence map›Paper›PMID 39183919›Full record

ArticleChemical science2024

Data-driven discovery of active phosphine ligand space for cross-coupling reactions.

Sicong Ma, Yanwei Cao, Yun-Fei Shi, Cheng Shang, Lin He, Zhi-Pan Liu

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Chemical science, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. Article
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

6 authors.

Sicong MaState Key Laboratory of Metal Organic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences Shanghai 200032 China scma@mail.sioc.ac.cn.ORCID https://orcid.org/0000-0001-5894-5910
Yanwei CaoState Key Laboratory for Oxo Synthesis and Selective Oxidation, Lanzhou Institute of Chemical Physics (LICP), Chinese Academy of Sciences Lanzhou 730000 China helin@licp.cas.cn.
Yun-Fei ShiCollaborative Innovation Center of Chemistry for Energy Materials (IChem), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Key Laboratory of Computational Physical Science, Department of Chemistry, Fudan University Shanghai 200433 China zpliu@fudan.edu.cn.
Cheng ShangCollaborative Innovation Center of Chemistry for Energy Materials (IChem), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Key Laboratory of Computational Physical Science, Department of Chemistry, Fudan University Shanghai 200433 China zpliu@fudan.edu.cn.ORCID https://orcid.org/0000-0001-7486-1514
Lin HeState Key Laboratory for Oxo Synthesis and Selective Oxidation, Lanzhou Institute of Chemical Physics (LICP), Chinese Academy of Sciences Lanzhou 730000 China helin@licp.cas.cn.ORCID https://orcid.org/0000-0001-7437-1443
Zhi-Pan LiuState Key Laboratory of Metal Organic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences Shanghai 200032 China scma@mail.sioc.ac.cn.ORCID https://orcid.org/0000-0002-2906-5217

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The design of highly active catalysts is a main theme in organic chemistry, but it still relies heavily on expert experience. Herein, powered by machine-learning global structure exploration, we forge a Metal-Phosphine Catalyst Database (MPCD) with a meticulously designed ligand replacement energy metric, a key descriptor to describe the metal-ligand interactions. It pushes the rational design of organometallic catalysts to a quantitative era, where a ±10 kJ mol

Identifiers

PMID39183919
PMCPMC11339946

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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.