ArticleChemical science2019
Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans.
Article in Chemical science, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
What it found
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Who cites it
19 citing papers in PubMed.
- Organic Chemistry as a Catalyst for AI Innovation: Challenges, Methods, and Emerging Paradigms.Chemical reviews · 2026Review
- NOCTIS: open-source toolkit that turns reaction data into actionable graph networks.Journal of cheminformatics · 2025Article
- The Promise and Pitfalls of Artificial Intelligence in the Evaluation of Synthetic "Greenness".ChemSusChem · 2025Article
- Chitosan/Montmorillonite/Graphene Oxide Composites for the Adsorption of Dyes from Single-Component Solutions, Binary Mixtures, and Real Textile Wastewaters: On Understanding the Adsorption Interactions.Langmuir : the ACS journal of surfaces and colloids · 2025Article
- Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry.Chemical Society reviews · 2025Review
- Generating diversity and securing completeness in algorithmic retrosynthesis.Journal of cheminformatics · 2025Article
- AiZynthFinder 4.0: developments based on learnings from 3 years of industrial application.Journal of cheminformatics · 2024Article
- Article
- MegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability Prediction.ACS omega · 2022Article
- Generative Algorithm for Molecular Graphs Uncovers Products of Oil Oxidation.Journal of chemical information and modeling · 2021Article
- A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formation.Chemical science · 2021Article
- Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently.The Biochemical journal · 2020Review
- Article
- Evaluating and clustering retrosynthesis pathways with learned strategy.Chemical science · 2020Article
- Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning.Chemical science · 2020Article
- Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir.Chemical science · 2020Article
- Automatic retrosynthetic route planning using template-free models.Chemical science · 2020Article
- A Perspective on Innovating the Chemistry Lab Bench.Frontiers in robotics and AI · 2020Article
- Computational design of syntheses leading to compound libraries or isotopically labelled targets.Chemical science · 2019Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
As the programs for computer-aided retrosynthetic design come of age, they are no longer identifying just one or few synthetic routes but a multitude of chemically plausible syntheses, together forming large, directed graphs of solutions. An important problem then emerges: how to select from these graphs and present to the user manageable numbers of top-scoring pathways that are cost-effective, promote convergent
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.