ReviewWiley interdisciplinary reviews. Computational molecular science2016
In silico toxicology: computational methods for the prediction of chemical toxicity.
Review in Wiley interdisciplinary reviews. Computational molecular science, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 230 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
230 citing papers in PubMed.
- Evaluation of Method "Whiteness" in the Stability Analysis of Dexamethasone and PVP-I Ophthalmic Suspensions: Synergizing LC-MS/MS, In Silico Toxicology, and AGREE/GAPI Metrics.Biomedical chromatography : BMC · 2026Article
- In Vitro Anti-Inflammatory Activity of Sour Cherry (Prunus cerasus L.) Seed Oil and Computational Safety Profiling.Chemistry & biodiversity · 2026Article
- Predicting the Toxicity In Silico of the Aqueous Extract ofPharmaceuticals (Basel, Switzerland) · 2026Article
- Semantic knowledge improves molecular machine learning for chemical toxicity prediction.iScience · 2026Article
- Integrated Phytochemical, Network Pharmacology, and Molecular Docking Analyses of Triphala Extract Reveal Protective Effects Against HLife (Basel, Switzerland) · 2026Article
- Molecular Mechanisms of Acute Drug Toxicity in Polypharmacy: Analgesic-Psychotropic Interactions.International journal of molecular sciences · 2026Review
- In-silico toxicity study of tryptamine, psilocin, psilocybin, N,N-dimethyltryptamine, 5'-methoxy-N,N-dimethyltryptamine and O-acetylpsilocin.Archives of toxicology · 2026Article
- Molecular Mechanisms of Local Anesthetic Toxicity: From Ion Channel Dysregulation to Mitochondrial Dysfunction and Tissue-Specific Injury.International journal of molecular sciences · 2026Review
- Phytochemical Profile and Biological Activities ofPharmaceuticals (Basel, Switzerland) · 2026Article
- 2-Phenyl-3-(Phenylselanyl)Benzofuran As a Promising Antidepressant Candidate: Mechanistic Insights Into Nitrergic Modulation and Subchronic Efficacy and Safety Profiling.Molecular neurobiology · 2026Article
- Meta-learning GNN with MD-informed attention for cross-species prediction of phosphoinositide-dependent kinase-1 (PdK1) inhibitors in termite control.Journal of molecular modeling · 2026Article
- Algicidal Monoterpenes Against Toxin-ProducingToxins · 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
- Comprehensive scientific insights on plant inspired nano therapeutics as the missing piece of the breast cancer puzzle.Discover nano · 2026Review
- How new approach methods are reshaping virology research.Journal of virology · 2026Review
- Structural Characterization, Toxicity Assessment and Molecular Modeling of Forced Degradation Products of Siponimod.International journal of molecular sciences · 2026Article
- Advances in the application of computational toxicology in cosmetic safety assessment.Archives of toxicology · 2026Review
- Methodological Challenges in the Application of QSAR Models for Chemical Prioritization and Toxicity Assessment: A Case Study on Aryl Hydrocarbon Receptor Activity in Environmental Pollutant Mixtures.ACS environmental Au · 2026Article
- Article
- Qualitative and quantitative in silico toxicity profiling of "angel dust": phencyclidine (PCP) analogues as new psychoactive substances (3-HO-PCP, 3-MeO-PCP, 4-MeO-PCP, 3-HO-PCE, 3-MeO-PCE, 4-MeO-PCE).Archives of toxicology · 2026Article
170 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
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Determining the toxicity of chemicals is necessary to identify their harmful effects on humans, animals, plants, or the environment. It is also one of the main steps in drug design. Animal models have been used for a long time for toxicity testing. However, in vivo animal tests are constrained by time, ethical considerations, and financial burden. Therefore, computational methods for estimating the toxicity of chemicals are considered useful. In silico toxicology is one type of toxicity assessment that uses computational methods to analyze, simulate, visualize, or predict the toxicity of chemicals. In silico toxicology aims to complement existing toxicity tests to predict toxicity, prioritize chemicals, guide toxicity tests, and minimize late-stage failures in drugs design. There are various methods for generating models to predict toxicity endpoints. We provide a comprehensive overview, explain, and compare the strengths and weaknesses of the existing modeling methods and algorithms for toxicity prediction with a particular (but not exclusive) emphasis on computational tools that can implement these methods and refer to expert systems that deploy the prediction models. Finally, we briefly review a number of new research directions in in silico toxicology and provide recommendations for designing in silico models.
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.