Evidence map›Paper›PMID 40556724›Full record

ArticleChemical science2025

Molecular Machine Learning Approach to Enantioselective C-H Bond Activation Reactions: From Generative AI to Experimental Validation.

Ajnabiul Hoque, Taiwei Chang, Jin-Quan Yu, Raghavan B Sunoj

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. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

4 authors.

Ajnabiul HoqueDepartment of Chemistry, Indian Institute of Technology Bombay Powai Mumbai 400076 India sunoj@chem.iitb.ac.in.ORCID https://orcid.org/0000-0001-9807-3061
Taiwei ChangDepartment of Chemistry, The Scripps Research Institute La Jolla California 92037 USA yu200@scripps.edu.
Jin-Quan YuDepartment of Chemistry, The Scripps Research Institute La Jolla California 92037 USA yu200@scripps.edu.ORCID https://orcid.org/0000-0003-3560-5774
Raghavan B SunojDepartment of Chemistry, Indian Institute of Technology Bombay Powai Mumbai 400076 India sunoj@chem.iitb.ac.in.ORCID https://orcid.org/0000-0002-6484-2878

Funding

Truncated Inositol Glycans and CancerSC3GM084819 · NIGMS · SAN JOSE STATE UNIVERSITY · PI D'ALARCAO, MARC · 2008 to 2011
$542k
NIGMS NIH HHS SC3 GM084819
6 · The paper itself

Abstract

Molecular machine learning (ML) has gained considerable attention in recent years. Developing ML algorithms for chemical reaction prediction is a formidable task, due to the small-sized reaction data it often presents, besides the sparsity and skewed distribution. While previous ML studies offered effective predictions on known reactions, efforts in using deep generative models for guiding new reactions and their prospective validation are rare. We harness both predictive and explorative abilities of deep learning on an important catalytic asymmetric β-C(sp

Identifiers

PMID40556724
PMCPMC12184194

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.