ArticleJournal of computer-aided molecular design2020
BRADSHAW: a system for automated molecular design.
Article in Journal of computer-aided molecular design, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 7 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
7 citing papers in PubMed.
- Defining Levels of Automated Chemical Design.Journal of medicinal chemistry · 2022Review
- Systemic evolutionary chemical space exploration for drug discovery.Journal of cheminformatics · 2022Article
- Machine Learning Applied to the Modeling of Pharmacological and ADMET Endpoints.Methods in molecular biology (Clifton, N.J.) · 2022Review
- Has Artificial Intelligence Impacted Drug Discovery?Methods in molecular biology (Clifton, N.J.) · 2022Article
- Artificial Intelligence for Autonomous Molecular Design: A Perspective.Molecules (Basel, Switzerland) · 2021Review
- GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics.Journal of cheminformatics · 2021Article
- Machine learning-accelerated quantum mechanics-based atomistic simulations for industrial applications.Journal of computer-aided molecular design · 2021Article
Corrections and comments
- Erratum issued
Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This paper introduces BRADSHAW (Biological Response Analysis and Design System using an Heterogenous, Automated Workflow), a system for automated molecular design which integrates methods for chemical structure generation, experimental design, active learning and cheminformatics tools. The simple user interface is designed to facilitate access to large scale automated design whilst minimising software development required to introduce new algorithms, a critical requirement in what is a very fast moving field. The system embodies a philosophy of automation, best practice, experimental design and the use of both traditional cheminformatics and modern machine learning algorithms.
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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.