ReviewDie Naturwissenschaften2009
A review on molecular topology: applying graph theory to drug discovery and design.
Review in Die Naturwissenschaften, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 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
13 citing papers in PubMed, 1 synthesis or guideline pooled it.
- A systematic review of molecular representation learning foundation models.Briefings in bioinformatics · 2026Pooled it
- graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory.Journal of cheminformatics · 2026Article
- Isolation, Structure Elucidation, and Bioactivity Evaluation of Two Alkaloids FromFood science & nutrition · 2024Article
- On degree-based operators and topological descriptors of molecular graphs and their applications to QSPR analysis of carbon derivatives.Scientific reports · 2024Article
- Automatic molecular fragmentation by evolutionary optimisation.Journal of cheminformatics · 2024Article
- "Polytopal Rearrangement Model of Stereoisomerization" and Its Potential as the Basis for a Systematic Model of All Stereoisomerism.ACS organic & inorganic Au · 2024Review
- Fuzzy RNA recognition by the Trypanosoma brucei editosome.Nucleic acids research · 2022Article
- COVID-19 and the Importance of Being Prepared: A Multidisciplinary Strategy for the Discovery of Antivirals to Combat Pandemics.Biomedicines · 2022Article
- Graph Theoretical Analysis of Structural Covariance Reveals the Relevance of Visuospatial and Attentional Areas in Essential Tremor Recovery After Stereotactic Radiosurgical Thalamotomy.Frontiers in aging neuroscience · 2022Article
- The Middle Science: Traversing Scale In Complex Many-Body Systems.ACS central science · 2021Article
- Novel potential agents for ulcerative colitis by molecular topology: suppression of IL-6 production in Caco-2 and RAW 264.7 cell lines.Molecular diversity · 2013Article
- Topological virtual screening: a way to find new compounds active in ulcerative colitis by inhibiting NF-κB.Molecular diversity · 2011Article
- Design of a high fragment efficiency library by molecular graph theory.ACS medicinal chemistry letters · 2010Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Molecular topology is an application of graph theory and statistics in fields like chemistry, biology, and pharmacology, in which the molecular structure matters. Its scope is the topological characterization of molecules by means of numerical invariants, called topological indices, which are the main ingredients of the molecular topological models. These are statistical models that are instrumental in the discovery of new applications of naturally occurring molecules, as well as in the design of synthetic molecules with specific chemical, biological, or pharmacological properties. In this review, we focus on pharmacology, which is a novel field of application of molecular topology. Besides summarizing some recent developments, we also seek to bring closer this interesting biomedical application of mathematics to an interdisciplinary readership.
Indexed as
Identifiers
19513596What 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.