ArticleThe journal of physical chemistry. B2024
Utility of the Morgan Fingerprint in Structure-Based Virtual Ligand Screening.
Article in The journal of physical chemistry. B, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
What it found
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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
22 citing papers in PubMed.
- Interpretable Machine Learning Frameworks for QSAR Modeling: A Comparative Study of Classical Algorithms and Transformer-CNN Architectures.ACS omega · 2026Article
- Accelerating Electrolyte Discovery Using Generative Models and Molecular Dynamics Simulations.ACS omega · 2026Article
- DDI-HierPred: An Artificial Intelligence-Based Hierarchical PK/PD Platform for Drug-Drug Interaction Prediction.Pharmaceutics · 2026Article
- Boosting the Prediction Accuracy of Glass Transition Temperature in Polyimides: A Hybrid Machine Learning Approach Integrating Morgan Fingerprints and Molecular Descriptors.Molecular informatics · 2026Article
- A Deep Learning Framework for the Discovery of Natural-Product Candidate Binders of Acetyl-CoA Carboxylase 2 (ACC2) with Potential Relevance to Cardiometabolic Lipid Metabolism.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Dual-Mode Native Mass Spectrometry Screening Identifies Ginsenoside Ligands of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase (HPPK).Molecules (Basel, Switzerland) · 2026Article
- Rapid screening of potent and mechanistically insightful repurposable anticancer drugs targeting EGFR for non-small cell lung cancer: machine learning-aided and structure-guided approach.Molecular diversity · 2026Article
- Counting cells can accurately predict small-molecule bioactivity benchmarks.Nature communications · 2026Article
- MARVpred: machine learning prediction of inhibitors targeting Marburg virus Gene 4 Small ORF protein.BMC infectious diseases · 2026Article
- Integrated framework for targeting dynamic penicillin-binding protein 2a via ensemble structural biology and deep generative modeling.Frontiers in microbiology · 2026Article
- In Silico Identification of Natural-Product Aromatase (CYP19A1) Inhibitors via Integrated Molecular Docking and QSAR Modelling.Bioinformatics and biology insights · 2026Article
- A hybrid high activity aware framework integrating graph attention network and transformer for half maximal inhibitory concentration prediction.Frontiers in immunology · 2026Article
- From Deep-Sea Natural Product to Optimized Therapeutics: Computational Design of Marizomib Analogs.International journal of molecular sciences · 2025Article
- Rescuing Verubecestat: An Integrative Molecular Modeling and Simulation Approach for Designing Next-Generation BACE1 Inhibitors.International journal of molecular sciences · 2025Article
- Medt5-bi: bidirectional translation between drug indications and molecular structures using a chemically-aware transformer.Journal of computer-aided molecular design · 2025Article
- μOR-ligand: target-aware view-based hybrid feature selection for μ-opioid receptor ligand functional classification.Journal of computer-aided molecular design · 2025Article
- Integrating AI/ML and multi-omics approaches to investigate the role of TNFRSF10A/TRAILR1 and its potential targets in pancreatic cancer.Computers in biology and medicine · 2025Article
- PLASMOpred: A Machine Learning-Based Web Application for Predicting Antimalarial Small Molecules Targeting the Apical Membrane Antigen 1-Rhoptry Neck Protein 2 Invasion Complex.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Article
- Entangled fingerprints for quantum-encoded chemoinformatics: quantum circuits for molecular similarity in the noisy era.Frontiers in chemistry · 2025Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
In modern drug discovery, virtual ligand screening (VLS) is frequently applied to identify possible hits before experimental testing and refinement due to its cost-effective nature for large compound libraries. For decades, efforts have been devoted to developing VLS methods with high accuracy. These include the state-of-the-art FINDSITE suite of approaches FINDSITE
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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.