ReviewJournal of materials chemistry. C2021
High-throughput virtual screening for organic electronics: a comparative study of alternative strategies.
Review in Journal of materials chemistry. C, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
What it found
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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
16 citing papers in PubMed.
- A multireference excited state database for correlation-aware screening of organic semiconductors in excitonic energy-materials discovery.Journal of materials chemistry. A · 2026Article
- Predicting room temperature phosphorescence of new organic molecules by combining physical models and data-driven methods.Chemical science · 2026Article
- From Quantum Mechanics to Coarse-Grained Models: Bridging the Gap toward Polymer Rational Design.Journal of chemical theory and computation · 2026Article
- Predicting SJournal of chemical theory and computation · 2026Article
- Electrons and Phonons in Pentacene: Coupling Patterns Reveal the Microscopic Origin of the Phonon Limited Mobility.The journal of physical chemistry. C, Nanomaterials and interfaces · 2025Article
- Data-Driven Recommendation of Optimal Tuning Scheme for Range-Separated Hybrid Functionals in Solution-Phase UV/Vis Absorption Energy Prediction.Journal of chemical theory and computation · 2025Article
- Machine Learning-Driven Design of Fluorescent Materials: Principles, Methodologies, and Future Directions.Nanomaterials (Basel, Switzerland) · 2025Review
- The Enduring Relevance of Semiempirical Quantum Mechanics.The journal of physical chemistry. A · 2025Review
- Advances in the Design and Discovery of Organic Semiconductors Aided by Machine Learning.Annual review of materials research · 2025Article
- From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery.Journal of chemical theory and computation · 2024Article
- Generative organic electronic molecular design informed by quantum chemistry.Chemical science · 2023Article
- Virtual Screening and Binding Analysis of Potential CD58 Inhibitors in Colorectal Cancer (CRC).Molecules (Basel, Switzerland) · 2023Article
- Identification of Unknown Inverted Singlet-Triplet Cores by High-Throughput Virtual Screening.Journal of the American Chemical Society · 2023Article
- Strategies for Enhancing the Dielectric Constant of Organic Materials.The journal of physical chemistry. C, Nanomaterials and interfaces · 2022Article
- Feasibility of p-Doped Molecular Crystals as Transparent Conductive Electrodes via Virtual Screening.Chemistry of materials : a publication of the American Chemical Society · 2022Article
- Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds.Scientific data · 2022Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We present a review of the field of high-throughput virtual screening for organic electronics materials focusing on the sequence of methodological choices that determine each virtual screening protocol. These choices are present in all high-throughput virtual screenings and addressing them systematically will lead to optimised workflows and improve their applicability. We consider the range of properties that can be computed and illustrate how their accuracy can be determined depending on the quality and size of the experimental datasets. The approaches to generate candidates for virtual screening are also extremely varied and their relative strengths and weaknesses are discussed. The analysis of high-throughput virtual screening is almost never limited to the identification of top candidates and often new patterns and structure-property relations are the most interesting findings of such searches. The review reveals a very dynamic field constantly adapting to match an evolving landscape of applications, methodologies and datasets.
Identifiers
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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.