Evidence map›Paper›PMID 41693734›Full record

ArticleJournal of chemical education2026

Illuminating the Interface of Blocc Chemistry and Data Science: Maximizing Function with ML-Guided Discovery and a Digital Molecule Maker.

Nolan M Green, Rachel I Hammond, James Planey, Nicholas H Angello, Jamie L B Putnam, Matthew Berry, Wenqi He, Emily Chen, Santiago Nuñez-Corrales, Danielle C Loving and 7 more

Abstract read
In one paragraph

Article in Journal of chemical education, 2026. 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

17 authors.

Nolan M GreenDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.
Rachel I HammondDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.ORCID https://orcid.org/0009-0001-8174-8082
James PlaneyIMMERSE: Center for Immersive Computing, University of Illinois, Urbana, Illinois 61801, United States.
Nicholas H AngelloDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.
Jamie L B PutnamCollege of Education, University of Illinois, Urbana, Illinois 61801, United States.
Matthew BerryNational Center for Supercomputing Applications, Urbana, Illinois 61801, United States.
Wenqi HeNational Center for Supercomputing Applications, Urbana, Illinois 61801, United States.
Emily ChenSiebel Center for Design, University of Illinois, Urbana, Illinois 61801, United States.
Santiago Nuñez-CorralesNational Center for Supercomputing Applications, Urbana, Illinois 61801, United States.
Danielle C LovingDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.
Wesley WangDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.
Tina HuangDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.
Bhagya GunasekeraDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.ORCID https://orcid.org/0000-0002-1901-7676
Kelly MarvilleDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.
Rachel SwitzkyDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.
Serenity DesmondDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.
Martin D BurkeDepartment of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.ORCID https://orcid.org/0000-0001-7963-7140

Funding

Molecular Prosthetics and Lego ChemistryR35GM118185 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI Martin D Burke · 2016 to 2026
$6.6M
NIGMS NIH HHS R35 GM118185
6 · The paper itself

Abstract

The intersection of automatable blocc chemistry for iterative carbon-carbon bond formation with artificial intelligence is amplifying molecular innovation in new and exciting ways. In this lab, students are introduced to concepts and tools that help them gain familiarity and confidence with this emerging area of chemistry. Students specifically learn about four automated synthesis platforms, each of which stitches together a bounded set of molecular building blocks using just one type of robust bond-forming reaction. Students then analyze a variety of small molecules and biopolymers to identify the most redundant types of bonds in each molecule that are compatible with iterative formation from bifunctional building blocks. Based on their analysis, students then select an appropriate iterative automated synthesis platform and determine which molecular building blocks would be required to assemble the desired targets. Students next investigate two case studies where blocc chemistry was used used in concert with artificial intelligence to discover new molecular functions. In the first case, students identify high-performing blocks from selected data sets to optimize a single objective function related to organic laser properties. In the second case, students engage with a new online platform inspired by Scratch, dubbed the Digital Molecule Maker (DMM), to perform a multi-objective optimization of organic photovoltaic candidates (OPV). To conclude the lab, students manually perform the blocc chemistry that is foundational for the DMM. This activity series is the second installment of a sequence of undergraduate laboratories designed to illuminate the functional discovery-enabling interface of AI and automated blocc chemistry.

Indexed as

Artificial IntelligenceAutomated Organic SynthesisBlocc ChemistryClusteringHands-On LearningMachine LearningUndergraduate Laboratory

Identifiers

PMID41693734
PMCPMC12895410

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

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.