ArticleBiomolecules2020
Molecular Topology for the Discovery of New Broad-Spectrum Antibacterial Drugs.
Article in Biomolecules, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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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.
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Who cites it
5 citing papers in PubMed, 6 citations in OpenAlex.
- Predictive modeling for physicochemical properties of β-lactam antibiotics through eigenvalue based topological indices and non linear regression techniques.Scientific reports · 2026Article
- Targeting bacterial growth in biofilm conditions: rational design of novel inhibitors to mitigate clinical and food contamination using QSAR.Journal of enzyme inhibition and medicinal chemistry · 2024Article
- Water Activity Prediction in Sugar and Polyol Systems Using Theoretical Molecular Descriptors.International journal of molecular sciences · 2021Article
- Molecular Topology for the Search of New Anti-MRSA Compounds.International journal of molecular sciences · 2021Article
- Tree-Based QSAR Model for Drug Repurposing in the Discovery of New Antibacterial Compounds AgainstPharmaceuticals (Basel, Switzerland) · 2020Article
Corrections and comments
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Authors and funding
7 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In this study, molecular topology was used to develop several discriminant equations capable of classifying compounds according to their antibacterial activity. Topological indices were used as structural descriptors and their relation to antibacterial activity was determined by applying linear discriminant analysis (LDA) on a group of quinolones and quinolone-like compounds. Four equations were constructed, named DF1, DF2, DF3, and DF4, all with good statistical parameters such as Fisher-Snedecor's F (over 25 in all cases), Wilk's lambda (below 0.36 in all cases) and percentage of correct classification (over 80% in all cases), which allows a reliable extrapolation prediction of antibacterial activity in any organic compound. From the four discriminant functions, it can be extracted that the presence of sp
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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.