ReviewNature reviews. Drug discovery2013
Chemical predictive modelling to improve compound quality.
Review in Nature reviews. Drug discovery, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 87 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
87 citing papers in PubMed.
- MMP2Mol: a matched molecular pairs-based framework for ligand-based de novo drug design.Briefings in bioinformatics · 2026Article
- Designing Potent HIV‑1 Protease Inhibitors Using Machine Learning and QSAR Approaches.ACS omega · 2025Article
- Inhibition of α-synuclein aggregation by hesperidin as a potent anti-amyloidogenic polyphenol: A computational approach and MM-PBSA /ADMET analysis.Biochemistry and biophysics reports · 2025Article
- Artificial intelligence for radiopharmaceutical and molecular imaging.Acta pharmaceutica Sinica. B · 2025Review
- Hesperetin reduces neuronal death in an SHSY5Y Alzheimer's model by inhibiting inflammation and apoptosis and pyroptosis cell death pathways.Scientific reports · 2025Article
- SHARP: Generating Synthesizable Molecules via Fragment-Based Hierarchical Action-Space Reinforcement Learning for Pareto Optimization.Journal of chemical information and modeling · 2025Article
- Molecule generation for target protein binding with hierarchical consistency diffusion model.Chemical science · 2025Article
- Investigate the potential inhibitors of sphingosine kinase 1 (SphK1) with molecular dynamics and artificial intelligence drug design methods.Journal of molecular modeling · 2025Article
- Evaluating the Vascular Risk of PFCs: An Integrated XGBoost-Driven Structure-Activity Prediction and Experimental Validation Study.Environment & health (Washington, D.C.) · 2025Article
- Unraveling bioactive potential and production inChinese herbal medicines · 2025Review
- Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World.Chemical research in toxicology · 2025Review
- The Effects of Laxogenin and 5-Alpha-hydroxy-laxogenin on Myotube Formation and Maturation During Cultured Meat Production.International journal of molecular sciences · 2025Article
- Inhibitory effect of Fisetin against the aggregation process of SOD1 E100K mutant: computer-based drug design as a potential therapeutic for ALS disease.Frontiers in chemistry · 2025Article
- Design, Synthesis, and Biological Assessment of Bis-thiazole Derivatives as Promising Anticancer Agents with Molecular Docking Insights.Current organic synthesis · 2025Article
- Network Pharmacology andCurrent pharmaceutical design · 2025Article
- MolPredictX: A Pioneer Mobile App Version for Online Biological Activity Predictions by Machine Learning Models.Methods in molecular biology (Clifton, N.J.) · 2025Article
- Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit Validation.Methods in molecular biology (Clifton, N.J.) · 2025Article
- Biocomputational screening of natural compounds targeting 15-hydroxyprostaglandin dehydrogenase to improve skeletal muscle during aging.Molecular diversity · 2024Article
- Structure-activity relationship of pharmacophores and toxicophores: the need for clinical strategy.Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences · 2024Review
- Emerging and reemerging infectious diseases: global trends and new strategies for their prevention and control.Signal transduction and targeted therapy · 2024Review
27 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
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The 'quality' of small-molecule drug candidates, encompassing aspects including their potency, selectivity and ADMET (absorption, distribution, metabolism, excretion and toxicity) characteristics, is a key factor influencing the chances of success in clinical trials. Importantly, such characteristics are under the control of chemists during the identification and optimization of lead compounds. Here, we discuss the application of computational methods, particularly quantitative structure-activity relationships (QSARs), in guiding the selection of higher-quality drug candidates, as well as cultural factors that may have affected their use and impact.
Indexed as
Identifiers
24287782What 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.