ReviewJournal of medicinal chemistry2022
Defining Levels of Automated Chemical Design.
Review in Journal of medicinal chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- Perspectives on Hybridizing Quantum Mechanics and Artificial Intelligence for Drug Design.Methods in molecular biology (Clifton, N.J.) · 2026Review
- Identification of nanomolar adenosine ANature communications · 2025Article
- A review of large language models and autonomous agents in chemistry.Chemical science · 2025Review
- Utopia Point Bayesian Optimization Finds Condition-Dependent Selectivity forJournal of the American Chemical Society · 2024Article
- DrugGym: A testbed for the economics of autonomous drug discovery.bioRxiv : the preprint server for biology · 2024Article
- Discovery of antibiotics that selectively kill metabolically dormant bacteria.Cell chemical biology · 2024Article
- AlvaBuilder: A Software for De Novo Molecular Design.Journal of chemical information and modeling · 2024Article
- Reinvent 4: Modern AI-driven generative molecule design.Journal of cheminformatics · 2024Article
- Generative artificial intelligence in drug discovery: basic framework, recent advances, challenges, and opportunities.Frontiers in pharmacology · 2024Review
- The Hitchhiker's Guide to Deep Learning Driven Generative Chemistry.ACS medicinal chemistry letters · 2023Review
- Target 2035 - an update on private sector contributions.RSC medicinal chemistry · 2023Article
- Review
- Developing Role for Artificial Intelligence in Drug Discovery in Drug Design, Development, and Safety Assessment.Chemical research in toxicology · 2022Article
- On scientific understanding with artificial intelligence.Nature reviews. Physics · 2022Review
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
One application area of computational methods in drug discovery is the automated design of small molecules. Despite the large number of publications describing methods and their application in both retrospective and prospective studies, there is a lack of agreement on terminology and key attributes to distinguish these various systems. We introduce Automated Chemical Design (ACD) Levels to clearly define the level of autonomy along the axes of ideation and decision making. To fully illustrate this framework, we provide literature exemplars and place some notable methods and applications into the levels. The ACD framework provides a common language for describing automated small molecule design systems and enables medicinal chemists to better understand and evaluate such systems.
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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.