ReviewChemical science2023
Predictive chemistry: machine learning for reaction deployment, reaction development, and reaction discovery.
Review in Chemical science, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 44 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
44 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
- Reaction Enumeration Based on NBO-Informed Molecular Graphs.Journal of computational chemistry · 2026Article
- Organic Chemistry as a Catalyst for AI Innovation: Challenges, Methods, and Emerging Paradigms.Chemical reviews · 2026Review
- Integrating AI in Medicinal Chemistry for Accelerated Drug Discovery: A Comprehensive SAR (CSAR) Optimization Strategy and Discovery of Potent ALDH3A1 Inhibitors.Journal of medicinal chemistry · 2026Article
- Machine-Learned Extrapolation of Quantum Mechanical Energies in Implicit Solvent from Short to Long Oligopeptides.Journal of chemical information and modeling · 2026Article
- Staged Diversity-Constrained Machine Learning for High-Dimensional Reaction Condition Optimization.Angewandte Chemie (International ed. in English) · 2026Article
- Higher-Level Strategies for Computer-Aided Retrosynthesis.ACS central science · 2026Article
- Article
- From waste rubber to value polybutadiene modification for circular materials.Nature communications · 2026Review
- An artificial intelligence-driven synthesis planning platform (PhotoCat) for photocatalysis.Communications chemistry · 2026Article
- Data-driven recommendation of agents, temperature, and equivalence ratios for organic synthesis.Chemical science · 2025Article
- Article
- Discovery of NiJournal of the American Chemical Society · 2025Article
- Unveiling Unusual Reactivity of SOInorganic chemistry · 2025Article
- Developing a Machine Learning Model for Hydrogen Bond Acceptance Based on Natural Bond Orbital Descriptors.The Journal of organic chemistry · 2025Article
- Applying Active Learning toward Building a Generalizable Model for Ni-Photoredox Cross-Electrophile Coupling of Aryl and Alkyl Bromides.Journal of the American Chemical Society · 2025Article
- ASKCOS: Open-Source, Data-Driven Synthesis Planning.Accounts of chemical research · 2025Article
- Benchmarking molecular conformer augmentation with context-enriched training: graph-based transformer versus GNN models.Journal of cheminformatics · 2025Article
- Unified Deep Learning of Molecular and Protein Language Representations with T5ProtChem.Journal of chemical information and modeling · 2025Article
- Challenging Reaction Prediction Models to Generalize to Novel Chemistry.ACS central science · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The field of predictive chemistry relates to the development of models able to describe how molecules interact and react. It encompasses the long-standing task of computer-aided retrosynthesis, but is far more reaching and ambitious in its goals. In this review, we summarize several areas where predictive chemistry models hold the potential to accelerate the deployment, development, and discovery of organic reactions and advance synthetic chemistry.
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.