ReviewDrug discovery today2020
Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling.
Review in Drug discovery today, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 78 papers.
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
78 citing papers in PubMed.
- Computer-Aided Discovery of EGFR G-Quadruplex Targeting Phenanthroimidazole Derivatives Inducing Concurrent Multi-Organelle Damage in Glioblastoma.Antioxidants (Basel, Switzerland) · 2026Article
- Advances in high-throughput drug screening based on pharmacotranscriptomics.Journal of advanced research · 2026Review
- Structure-Based Drug Design Targeting Topoisomerase II Alpha: Discovery of Potential Antitumor Xanthone Derivatives.Molecules (Basel, Switzerland) · 2026Article
- Virtual Screening of Traditional Chinese Medicine Natural Product Inhibitors Targeting AQP1 for Bladder Cancer.Cancer reports (Hoboken, N.J.) · 2026Article
- Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence.Journal of the American Chemical Society · 2026Review
- Computer-aided drug design in acute myeloid leukemia: a comprehensive review of advances, challenges, and future prospect.Journal of computer-aided molecular design · 2026Review
- Big Data for Drug Discovery: Some Historical Landscape, Considerations, and Applications for a Medicinal Chemist.ACS omega · 2026Review
- Blocking ASIP to Protect MC1R Signaling and Mitigate Melanoma Risk: An In Silico Study.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Deciphering the mechanistic landscape of immune checkpoint blockade in ccRCC: from molecular drivers to therapeutic responses.Frontiers in immunology · 2026Review
- Design and In Vitro Evaluation of Gambogic Acid-Conjugated Stearic Acid Solid Lipid Nanoparticles for Transferrin Receptor-Mediated Drug Delivery.Pharmaceutical research · 2025Article
- Discovery and biological evaluation of a novel and highly potent JAK2 inhibitor for the treatment of triple negative breast cancer.Journal of enzyme inhibition and medicinal chemistry · 2025Article
- Machine Learning Modeling for ABC Transporter Efflux and Inhibition: Data Curation, Model Development, and New Compound Interaction Predictions.Molecular pharmaceutics · 2025Article
- Review
- The Neuroprotective Role of Curcumin: From Molecular Pathways to Clinical Translation-A Narrative Review.Nutrients · 2025Review
- Computational insights and experimental breakthroughs in identifying next-generation acetylcholinesterase inhibitors.Scientific reports · 2025Article
- Article
- Multiscale Computational and Pharmacophore-Based Screening of ALK Inhibitors with Experimental Validation.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Unveiling Calotropis procera's promising wound healing secrets by QSAR, molecular docking, DFT and ADMET profiling.Scientific reports · 2025Article
- Advances and challenges in drug design against dental caries: Application ofJournal of pharmaceutical analysis · 2025Review
- Developmental toxicity: artificial intelligence-powered assessments.Trends in pharmacological sciences · 2025Review
18 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
4 authors.
Funding
Abstract
Advancing a new drug to market requires substantial investments in time as well as financial resources. Crucial bioactivities for drug candidates, including their efficacy, pharmacokinetics (PK), and adverse effects, need to be investigated during drug development. With advancements in chemical synthesis and biological screening technologies over the past decade, a large amount of biological data points for millions of small molecules have been generated and are stored in various databases. These accumulated data, combined with new machine learning (ML) approaches, such as deep learning, have shown great potential to provide insights into relevant chemical structures to predict in vitro, in vivo, and clinical outcomes, thereby advancing drug discovery and development in the big data era.
Indexed as
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.