2026-10-11T21:45:11Z
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oai:figshare.com:article/34024598
2026-09-29T14:40:18Z
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Agentic Preparative
Thin-Layer Chromatography System
for Autonomous Purification
Wendi Cai (21733635)
Boxuan Zhao (16014742)
Yansong Yue (20602304)
Changlin Liu (191503)
Chengchun Liu (19703522)
Ying Cui (93661)
Zihao Zhou (2411389)
Xiaohui Tian (336316)
Zhongchao Zhang (3210654)
Zhen Yang (107412)
Jie Zhu (126574)
Fanyang Mo (1372980)
Space Science
Medicine
Environmental Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
yet full automation
stage predictive model
poorly integrated bottleneck
planned band center
normalized band center
multistep separation reasoning
modular robotic workcell
iterative model refinement
explicit review gates
across three proof
scale purification method
framework transforms purification
directed purification requests
supervised agentic system
precision robotic recovery
grounding recovery decisions
planar delivered nmr
verified isolated products
standardized run records
layer chromatography system
end plate handling
cascade achieves pooled
2 </ sup
autonomous recovery ),
agentic preparative thin
isolated products
autonomous purification
layer chromatography
preparative thin
agentic controller
standardized tlc
r </
>< sup
present planar
preparative plates
planar integrates
autonomous laboratories
validation split
traceable module
synthesis design
rapid advancement
ptlc records
prospective integration
level formal
intrinsic coupling
driving laboratories
core small
bandwidth priors
auditable route
The rapid advancement of autonomous laboratories has
significantly
accelerated reaction discovery and optimization, yet downstream compound
purification remains a manual and poorly integrated bottleneck. Preparative
thin-layer chromatography (pTLC) is a core small-scale purification
method, yet full automation has been hindered by the intrinsic coupling
of multistep separation reasoning and millimeter-precision robotic
recovery. Here, we present PLANAR (Preparative Layer Chromatography
Agentic Network for Autonomous Recovery), a supervised agentic system
that provides a gated, auditable route from target-directed purification
requests to isolated products. PLANAR integrates a modular robotic
workcell for end-to-end plate handling, development, and recovery;
a two-stage predictive model (A2P-Cascade) that ranks candidate mobile
phases based on planned band center and bandwidth priors; and an agentic
controller that orchestrates these tools through explicit review gates.
Trained on standardized TLC and pTLC records, A2P-Cascade achieves
pooled <i>R</i><sup>2</sup> values of 0.835 and 0.673 for
normalized band center and width on a compound-level formal-validation
split. Across three proof-of-workflow cases spanning structural formula,
reaction-image, and fixed-condition analytical TLC inputs, PLANAR
delivered NMR-verified isolated products while grounding recovery
decisions in evidence from preparative plates. This framework transforms
purification into a traceable module for self-driving laboratories,
supporting the generation of standardized run records for iterative
model refinement and prospective integration with online process analytical
technologies. By bridging the gap between synthesis design and verified
isolated products, PLANAR moves autonomous chemical workflows toward
complete end-to-end experimental discovery cycles.
2026-09-29T00:00:00Z
Text
Journal contribution
10.1021/jacs.6c10800.s001
https://figshare.com/articles/journal_contribution/Agentic_Preparative_Thin-Layer_Chromatography_System_for_Autonomous_Purification/34024598
CC BY-NC 4.0