ArticleChemical science2019
Electron density learning of non-covalent systems.
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 26 papers.
What it found
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Who cites it
26 citing papers in PubMed.
- Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence.Journal of the American Chemical Society · 2026Review
- Quantum Mechanical/Molecular Mechanical (QM/MM) Studies of Enzymes.Advances in experimental medicine and biology · 2026Review
- Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry.Chemical Society reviews · 2025Review
- Image super-resolution inspired electron density prediction.Nature communications · 2025Article
- Adapting hybrid density functionals with machine learning.Science advances · 2025Article
- Recent advances and various detection strategies of deep eutectic solvents for zinc air batteries.Heliyon · 2024Review
- 3DReact: Geometric Deep Learning for Chemical Reactions.Journal of chemical information and modeling · 2024Article
- SPAJournal of chemical theory and computation · 2024Article
- Article
- Physics-Inspired Equivariant Descriptors of Nonbonded Interactions.The journal of physical chemistry letters · 2023Article
- Machine Learning Electron Density Prediction Using Weighted Smooth Overlap of Atomic Positions.Nanomaterials (Basel, Switzerland) · 2023Article
- Predicting accurate ab initio DNA electron densities with equivariant neural networks.Biophysical journal · 2022Article
- Machine Learning for Harnessing Thermal Energy: From Materials Discovery to System Optimization.ACS energy letters · 2022Article
- Extending machine learning beyond interatomic potentials for predicting molecular properties.Nature reviews. Chemistry · 2022Review
- Informing geometric deep learning with electronic interactions to accelerate quantum chemistry.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- QMugs, quantum mechanical properties of drug-like molecules.Scientific data · 2022Article
- Interactions of Co, Cu, and non-metal phthalocyanines with external structures of SARS-CoV-2 using docking and molecular dynamics.Scientific reports · 2022Article
- Large scale dataset of real space electronic charge density of cubic inorganic materials from density functional theory (DFT) calculations.Scientific data · 2022Article
- Learning Electron Densities in the Condensed Phase.Journal of chemical theory and computation · 2021Article
- Machine Learning for Electronically Excited States of Molecules.Chemical reviews · 2021Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Chemists continuously harvest the power of non-covalent interactions to control phenomena in both the micro- and macroscopic worlds. From the quantum chemical perspective, the strategies essentially rely upon an in-depth understanding of the physical origin of these interactions, the quantification of their magnitude and their visualization in real-space. The total electron density
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.