ArticleNature communications2020
Machine learning in chemical reaction space.
Article in Nature communications, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 43 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
43 citing papers in PubMed.
- Improvements in chemical reaction pathway exploration algorithms and dataset generation.Scientific data · 2026Article
- Nitrate-Stabilized CuAngewandte Chemie (International ed. in English) · 2026Article
- A Comprehensive Dataset of Chemical Reactions Covering Second and Third Row Elements with Million-Scale Quantum Chemical Calculations.Scientific data · 2026Article
- Identification of Solid-Electrolyte Interphase Species by Joint Characterization of Li-Ion Battery Chemistry by Mass Spectrometry and Electrochemical Reaction Networks.Journal of the American Chemical Society · 2026Article
- Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- SynRXN: An Open Benchmark and Curated Dataset for Computational Reaction Modeling.Scientific data · 2026Article
- Accelerating Catalyst Materials Discovery With Large Artificial Intelligence Models.Angewandte Chemie (International ed. in English) · 2026Review
- Exploring chemistry and catalysis by biasing skewed distributions via deep learning.Nature communications · 2026Article
- Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next.ACS engineering Au · 2026Review
- Machine learning in next-generation AEM fuel cells: a systematic review.RSC advances · 2026Review
- Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials.Digital discovery · 2025Article
- Chemistries Moonshot: An Entirely Recyclable Car.ACS central science · 2025Review
- Thermodynamic Constraints on the Citric Acid Cycle and Related Reactions in Ocean World Interiors.ACS earth & space chemistry · 2025Article
- AI Approaches to Homogeneous Catalysis with Transition Metal Complexes.ACS catalysis · 2025Review
- Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry.Journal of chemical information and modeling · 2025Article
- Machine learning applications for thermochemical and kinetic property prediction.Reviews in chemical engineering · 2025Review
- Predicting Molecular Energies of Small Organic Molecules With Multi-Fidelity Methods.Journal of computational chemistry · 2025Article
- Data Generation for Machine Learning Interatomic Potentials and Beyond.Chemical reviews · 2024Review
- Superior electroadhesion force with permittivity-engineered bilayer films using electrostatic simulation and machine learning approaches.Scientific reports · 2024Article
- Comparing ANI-2x, ANI-1ccx neural networks, force field, and DFT methods for predicting conformational potential energy of organic molecules.Scientific reports · 2024Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Chemical compound space refers to the vast set of all possible chemical compounds, estimated to contain 10
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.