ArticleJournal of cheminformatics2024
Effectiveness of molecular fingerprints for exploring the chemical space of natural products.
Article in Journal of cheminformatics, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 41 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
41 citing papers in PubMed.
- Interpretable Machine Learning Frameworks for QSAR Modeling: A Comparative Study of Classical Algorithms and Transformer-CNN Architectures.ACS omega · 2026Article
- Benchmarking machine learning and molecular dynamics methods for the prediction of the thermophysical properties of organic liquids.Digital discovery · 2026Article
- Candidate Structure Prioritization in Non-Target Screening with Predicted Collision Cross-Sections and Uncertainty Quantification.Journal of chemical information and modeling · 2026Article
- A Machine Learning Approach for Predicting Synergism of Mixtures of Compounds in Treating Cancers.International journal of molecular sciences · 2026Article
- Machine learning-driven identification of PIM2 kinase inhibitors through QSAR modeling and molecular dynamics simulations.Journal, genetic engineering & biotechnology · 2026Article
- Integrating computational and biological approaches for the discovery of putative MmpL3 inhibitors against Mycobacterium tuberculosis.Molecular diversity · 2026Article
- Explainable Artificial Intelligence (XAI) and Molecular Modeling Techniques to Discover Putative HER2 Inhibitors.International journal of molecular sciences · 2026Article
- Organic Chemistry as a Catalyst for AI Innovation: Challenges, Methods, and Emerging Paradigms.Chemical reviews · 2026Review
- A historical journey of metabolite-protein interaction discovery: from data harmonization to AI-driven prediction.Briefings in bioinformatics · 2026Review
- Count your bits: fingerprint benchmarking to assess broad chemical space representation.Journal of cheminformatics · 2026Article
- Machine Learning and Virtual Screening Methods to Discover Potential Cyclin-Dependent Kinase 2 (CDK2) Inhibitors.Pharmaceuticals (Basel, Switzerland) · 2026Article
- KAN-PROSPECT: a Kolmogorov-Arnold Networks-integrated framework for predicting the effects and adverse reactions of natural products via transfer learning.Scientific reports · 2026Article
- The nitrovinyl moiety determines the cyto- and genotoxic profiles of β-nitrostyrene derivatives: evidence from in silico and in vitro evaluation.Archives of toxicology · 2026Article
- Generalization of long-range machine learning potentials in complex chemical spaces.Digital discovery · 2026Article
- Algorithm-driven, phenotype-directed bioactive molecular discovery.Communications chemistry · 2026Article
- Relating Model Performance to Embedding Distributions in Molecular Machine Learning.Journal of chemical information and modeling · 2026Article
- Comparative Chemical Profiling, Antioxidant Activity, and Antidiabetic Potential of Four Whole-Grain Red Rice Cultivars from Three Southern Border Provinces of Thailand: An In Vitro and In Silico Investigation.Foods (Basel, Switzerland) · 2026Article
- A unified multi-scale deep learning framework for molecular property prediction that bridges molecular structures and fingerprinting.Communications chemistry · 2026Article
- ChronicDPipredictor: an interpretable deep learning framework for chemical chronic and subchronic toxicity assessment.Molecular diversity · 2026Article
- AI-driven drug-target interaction prediction: current progress, challenges, and future roadmap for precision medicine.Journal of computer-aided molecular design · 2026Review
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Natural products are a diverse class of compounds with promising biological properties, such as high potency and excellent selectivity. However, they have different structural motifs than typical drug-like compounds, e.g., a wider range of molecular weight, multiple stereocenters and higher fraction of sp
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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.