ArticleACS synthetic biology2024
Artificial Intelligence Methods and Models for Retro-Biosynthesis: A Scoping Review.
Article in ACS synthetic biology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- AI-Driven Synthesis in Medicinal Chemistry: Integrating Large Language Models, Robotic Automation, and Sustainability Metrics to Accelerate Drug Discovery.Medicinal research reviews · 2026Review
- Enhancing biocatalytic retrosynthesis with a graph-to-graph model.Chemical science · 2026Article
- TridentSynth: a webtool for the retrosynthesis of molecules using chimeric type I polyketide synthases and chemoenzymatic pathways.Nucleic acids research · 2026Article
- Bioengineered Silver Nanoparticles: Next-Generation Biogenic Synthesis Strategies for Precision Biomedical Applications.Bioengineering (Basel, Switzerland) · 2026Review
- A Transformer for Reaction-Aware Compound Explorations with GFlowNet in QSAR-Guided Molecular Design.Journal of chemical information and modeling · 2026Article
- Enzyformer: a two-stage pretrained model for enzymatic retrosynthesis.Journal of cheminformatics · 2026Article
- RetroRules 2026: an expanded database combining biochemical and organic reaction templates for pathway discovery.Nucleic acids research · 2026Article
- Productive chaos and precision engineering: decoupling discovery from manufacturing to revolutionize plant-inspired therapeutics.Frontiers in plant science · 2026Article
- Leveraging artificial intelligence for efficient microbial production.Bioresource technology · 2026Review
- Biological conversion of methane to organic molecules: towards a low-carbon bioeconomy.National science review · 2026Review
- Machine-Readable Structural Information Is Essential for Natural Products Research.Journal of natural products · 2025Review
- Discovery of hybrid chemical synthesis pathways with DORAnet.Digital discovery · 2025Article
- BioRGroup dataset: R-group expansion of ChEBI molecules referenced in the Rhea database.Scientific data · 2025Article
- Computational tools for nonnatural pathway design: Algorithms, applications, and challenges.Biodesign research · 2025Review
- A generalized platform for artificial intelligence-powered autonomous enzyme engineering.Nature communications · 2025Article
- Merging the computational design of chimeric type I polyketide synthases with enzymatic pathways for chemical biosynthesis.Nature communications · 2025Article
- RC-GNN: A predictive model of enzyme-reaction pairs.bioRxiv : the preprint server for biology · 2025Article
- Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry.Chemical Society reviews · 2025Review
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Retrosynthesis aims to efficiently plan the synthesis of desirable chemicals by strategically breaking down molecules into readily available building block compounds. Having a long history in chemistry, retro-biosynthesis has also been used in the fields of biocatalysis and synthetic biology. Artificial intelligence (AI) is driving us toward new frontiers in synthesis planning and the exploration of chemical spaces, arriving at an opportune moment for promoting bioproduction that would better align with green chemistry, enhancing environmental practices. In this review, we summarize the recent advancements in the application of AI methods and models for retrosynthetic and retro-biosynthetic pathway design. These techniques can be based either on reaction templates or generative models and require scoring functions and planning strategies to navigate through the retrosynthetic graph of possibilities. We finally discuss limitations and promising research directions in this field.
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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.