ArticleAngewandte Chemie (International ed. in English)2025
Inverse Design of Singlet-Fission Materials with Uncertainty-Controlled Genetic Optimization.
Article in Angewandte Chemie (International ed. in English), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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.
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.
Who cites it
11 citing papers in PubMed.
- Artificial Intelligence-Driven Inverse Design of Singlet Fission Candidates in the Acene family.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Predicting room temperature phosphorescence of new organic molecules by combining physical models and data-driven methods.Chemical science · 2026Article
- Modular Framework for 3D Molecular Generation in Computational Chemistry Applications.Journal of the American Chemical Society · 2026Article
- Controlling triplet-pair formation in acene-bridged trimers through locally excited-charge-transfer state mixing.Chemical science · 2026Article
- Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- NaviDiv: a web app for monitoring chemical diversity in generative molecular design.Digital discovery · 2026Article
- Inverse Design of Metal-Organic Polyhedra through Molecular Fragmentation and Evolutionary Optimisation.Journal of chemical information and modeling · 2026Article
- Generative design of singlet fission materials leveraging a fragment-oriented database.Chemical science · 2025Article
- Article
- Inverse Neural Network Approach for Optimizing Chemical Composition in Shielded Metal Arc Weld Metals.Materials (Basel, Switzerland) · 2025Article
- Inverse Design of Singlet-Fission Materials with Uncertainty-Controlled Genetic Optimization.Angewandte Chemie (International ed. in English) · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
Abstract
Singlet fission has shown potential for boosting the efficiency of solar cells, but the scarcity of suitable molecular materials hinders its implementation. We introduce an uncertainty-controlled genetic algorithm (ucGA) based on ensemble machine learning predictions from different molecular representations that concurrently optimizes excited state energies, synthesizability, and exciton size for the discovery of singlet fission materials. The ucGA allows us to efficiently explore the chemical space spanned by the reFORMED fragment database, which consists of 45,000 cores and 5,000 substituents derived from crystallographic structures assembled in the FORMED repository. Running the ucGA in an exploitative setup performs local optimization on variations of known singlet fission scaffolds, such as acenes. In an explorative mode, hitherto unknown candidates displaying excellent excited state properties for singlet fission are generated. We suggest a class of heteroatom-rich mesoionic compounds as acceptors for charge-transfer mediated singlet fission. When included in larger donor-acceptor systems, these units exhibit localization of the triplet state, favorable diradicaloid character and suitable triplet energies for exciton injection into semiconductor solar cells.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
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.