Evidence map›Paper›PMID 42319927›Full record

ArticleScience advances2026

Discovery of TYR inhibitors from de novo molecular generation to dual-track lead optimization: "Competition" between AI and chemists.

Yinyan Sun, Jiahui Wang, Wenchao Chen, Xiaoying Jiang, Shan Wang, Jia Zhi, Feifan Li, Meiling Feng, Xiaotian Niu, Bin Ju and 2 more

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Science advances, 2026. 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

12 authors.

Yinyan SunSchool of Pharmacy, Hangzhou Normal University, Hangzhou 311121, PR China.ORCID 0009-0003-9519-1822
Jiahui WangSchool of Pharmacy, Hangzhou Normal University, Hangzhou 311121, PR China.ORCID 0009-0006-7964-9874
Wenchao ChenSchool of Pharmacy, Hangzhou Normal University, Hangzhou 311121, PR China.ORCID 0009-0004-3386-8719
Xiaoying JiangSchool of Pharmacy, Hangzhou Normal University, Hangzhou 311121, PR China.ORCID 0000-0003-2454-3192
Shan WangSchool of Pharmacy, Hangzhou Normal University, Hangzhou 311121, PR China.
Jia ZhiSchool of Pharmacy, Hangzhou Normal University, Hangzhou 311121, PR China.
Feifan LiSchool of Pharmacy, Hangzhou Normal University, Hangzhou 311121, PR China.ORCID 0009-0005-6392-6016
Meiling FengSchool of Pharmacy, Hangzhou Normal University, Hangzhou 311121, PR China.
Xiaotian NiuSchool of Pharmacy, Hangzhou Normal University, Hangzhou 311121, PR China.
Bin JuZhejiang Angel Medical AI Technology Co., Ltd., Hangzhou 311103, PR China.ORCID 0000-0003-4709-4297
Jianan GuoDepartment of Pharmacy, Jinhua Municipal Central Hospital, Jinhua 321000, PR China.ORCID 0009-0007-5670-6511
Renren BaiSchool of Pharmacy, Hangzhou Normal University, Hangzhou 311121, PR China.ORCID 0000-0002-3511-5794

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This study introduces a unified framework combining artificial intelligence (AI)-directed de novo molecular generation with dual-track lead optimization-comprising expert-guided strategies and AI-driven pathways-to discover tyrosinase (TYR) inhibitors for hyperpigmentation disorders. Using a reinforcement learning (RL)-based generative model, the lead compound

Indexed as

Artificial IntelligenceDrug DiscoveryEnzyme InhibitorsMonophenol MonooxygenaseGenerative Artificial IntelligenceHumansReinforcement Machine LearningStructure-Activity RelationshipEnzyme InhibitorsMonophenol Monooxygenase

Identifiers

PMID42319927
PMCPMC13281790

What OpenQuestion holds

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Registered trials

None linked

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.