ReviewActa pharmacologica Sinica2012
Computational drug discovery.
Review in Acta pharmacologica Sinica, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 110 papers, 1 of them a synthesis that pooled it.
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
110 citing papers in PubMed, 1 synthesis or guideline pooled it.
- A Systematic Review of Computational Drug Discovery, Development, and Repurposing for Ebola Virus Disease Treatment.Molecules (Basel, Switzerland) · 2017Pooled it
- AI-driven computational drug design: tools, workflow and challenges.RSC advances · 2026Review
- Discovery of novel Plasmodium falciparum PfDHFR-TS inhibitors from ConMedNP natural compounds: a multi-computational approach.Molecular diversity · 2026Article
- Anxiolytic-like effects of p-coumaric acid via GABAergic interaction pathways: an in vivo and in silico study.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Synthesis and integrative multimodal evaluation of cholic acid-based hydrazone conjugates: in vitro, in silico, and in vivo studies.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Addressing model overcomplexity in drug-drug interaction prediction with molecular fingerprints.Journal of cheminformatics · 2026Article
- Metabolic Stability of Fluorinated Small Molecules: A Physical Organic Chemistry Perspective.Journal of medicinal chemistry · 2026Review
- Leveraging 3D Molecular Spatial Visual Information and Multi-Perspective Representations for Drug Discovery.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Targeting cyclin-dependent kinase 11: a computational approach for natural anti-cancer compound discovery.Molecular diversity · 2025Article
- 1-Nitro-2-Phenylethane as a Multitarget Candidate for Cognitive and Psychiatric Disorders: Insights from In Silico and Behavioral Approaches.Pharmaceuticals (Basel, Switzerland) · 2025Article
- AI-Integrated QSAR Modeling for Enhanced Drug Discovery: From Classical Approaches to Deep Learning and Structural Insight.International journal of molecular sciences · 2025Review
- AI-Driven Drug Discovery: A Comprehensive Review.ACS omega · 2025Review
- MolSnapper: Conditioning Diffusion for Structure-Based Drug Design.Journal of chemical information and modeling · 2025Article
- Molecular Dynamics Studies onACS omega · 2025Article
- Article
- Defining ortholog-specific UHRF1 inhibition by STELLA for cancer therapy.Nature communications · 2025Article
- The effects of ondansetron on diabetes and high-fat diet-induced liver disease: a critical role for protein tyrosine phosphatase 1B.Frontiers in pharmacology · 2025Article
- Indian Medicinal Plant-Derived Phytochemicals as Potential Antidotes for Snakebite: A Pharmacoinformatic Study of Atrolysin Inhibitors.International journal of molecular sciences · 2024Article
- GADIFF: a transferable graph attention diffusion model for generating molecular conformations.Briefings in bioinformatics · 2024Article
- Antibiotic resistance challenge: evaluating anthraquinones as rifampicin monooxygenase inhibitors through integrated bioinformatics analysis.Genomics & informatics · 2024Article
50 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Computational drug discovery is an effective strategy for accelerating and economizing drug discovery and development process. Because of the dramatic increase in the availability of biological macromolecule and small molecule information, the applicability of computational drug discovery has been extended and broadly applied to nearly every stage in the drug discovery and development workflow, including target identification and validation, lead discovery and optimization and preclinical tests. Over the past decades, computational drug discovery methods such as molecular docking, pharmacophore modeling and mapping, de novo design, molecular similarity calculation and sequence-based virtual screening have been greatly improved. In this review, we present an overview of these important computational methods, platforms and successful applications in this field.
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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.