ArticleACS omega2023
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug Lipophilicity.
Article in ACS omega, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
23 citing papers in PubMed.
- Graph-based transformer to predict the octanol-water partition coefficient.Journal of cheminformatics · 2026Article
- Assessing the performance of quantum-mechanical descriptors in physicochemical and biological property prediction.Digital discovery · 2026Article
- Artificial intelligence in drug discovery from advanced molecular representation to pipeline applications.Frontiers in bioinformatics · 2026Review
- Unveiling optimal molecular features for hERG insights with automatic machine learning.Journal of pharmaceutical analysis · 2025Article
- Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization.Nature communications · 2025Article
- Developing a Machine Learning Model for Hydrogen Bond Acceptance Based on Natural Bond Orbital Descriptors.The Journal of organic chemistry · 2025Article
- From Patterns to Pills: How Informatics Is Shaping Medicinal Chemistry.Pharmaceutics · 2025Article
- Peptide Property Prediction for Mass Spectrometry Using AI: An Introduction to State of the Art Models.Proteomics · 2025Review
- Standardized Chromatographic and Computational Approaches for Lipophilicity Analysis of Five Gliflozin Antidiabetic Drugs in Relation to Their Biological Activity.Molecules (Basel, Switzerland) · 2024Article
- G-Computational and structural biotechnology journal · 2024Article
- Molecular Modeling of Vasodilatory Activity: Unveiling Novel Candidates Through Density Functional Theory, QSAR, and Molecular Dynamics.International journal of molecular sciences · 2024Article
- CombiningRSC advances · 2024Article
- Geometric deep learning for molecular property predictions with chemical accuracy across chemical space.Journal of cheminformatics · 2024Article
- Review
- Topological regression as an interpretable and efficient tool for quantitative structure-activity relationship modeling.Nature communications · 2024Article
- Development of a Novel In Silico Classification Model to Assess Reactive Metabolite Formation in the Cysteine Trapping Assay and Investigation of Important Substructures.Biomolecules · 2024Article
- Prospective de novo drug design with deep interactome learning.Nature communications · 2024Article
- Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning.Nature chemistry · 2024Article
- Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning.RSC advances · 2024Article
- Chemprop: A Machine Learning Package for Chemical Property Prediction.Journal of chemical information and modeling · 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
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Lipophilicity, as measured by the partition coefficient between octanol and water (log
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.