ArticleChemical science2023
Computer-assisted multistep chemoenzymatic retrosynthesis using a chemical synthesis planner.
Article in Chemical science, 2023. 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
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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.
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Who cites it
11 citing papers in PubMed, 30 citations in OpenAlex.
- Enhancing biocatalytic retrosynthesis with a graph-to-graph model.Chemical science · 2026Article
- EnzRetro: Enzymatic Retrosynthetic Planning With Site-Specific Reaction Edits Based on Sequence Generative Architecture.Exploration (Beijing, China) · 2026Article
- A virtual platform for automated hybrid organic-enzymatic synthesis planning.Nature communications · 2025Article
- ASKCOS: Open-Source, Data-Driven Synthesis Planning.Accounts of chemical research · 2025Article
- minChemBio: Expanding Chemical Synthesis with Chemo-Enzymatic Pathways Using Minimal Transitions.ACS synthetic biology · 2025Article
- Green Fabrication of Silver Nanoparticles, Statistical Process Optimization, Characterization, and Molecular Docking Analysis of Their Antimicrobial Activities onto Cotton Fabrics.Journal of functional biomaterials · 2024Article
- Advances, opportunities, and challenges in methods for interrogating the structure activity relationships of natural products.Natural product reports · 2024Review
- Artificial Intelligence Methods and Models for Retro-Biosynthesis: A Scoping Review.ACS synthetic biology · 2024Article
- Developing BioNavi for Hybrid Retrosynthesis Planning.JACS Au · 2024Article
- The recent advances in the approach of artificial intelligence (AI) towards drug discovery.Frontiers in chemistry · 2024Review
- Machine learning-guided strategies for reaction conditions design and optimization.Beilstein journal of organic chemistry · 2024Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Chemoenzymatic synthesis methods use organic and enzyme chemistry to synthesize a desired small molecule. Complementing organic synthesis with enzyme-catalyzed selective transformations under mild conditions enables more sustainable and synthetically efficient chemical manufacturing. Here, we present a multistep retrosynthesis search algorithm to facilitate chemoenzymatic synthesis of pharmaceutical compounds, specialty chemicals, commodity chemicals, and monomers. First, we employ the synthesis planner ASKCOS to plan multistep syntheses starting from commercially available materials. Then, we identify transformations that can be catalyzed by enzymes using a small database of biocatalytic reaction rules previously curated for RetroBioCat, a computer-aided synthesis planning tool for biocatalytic cascades. Enzymatic suggestions captured by the approach include ones capable of reducing the number of synthetic steps. We successfully plan chemoenzymatic routes for active pharmaceutical ingredients or their intermediates (
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.