ArticlePloS one2013
Large-scale evaluation of molecular descriptors by means of clustering.
Article in PloS one, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- BONAFIDE: a Python framework for the calculation of local features for atoms and bonds in molecules.Journal of cheminformatics · 2026Article
- Unveiling the structural determinants of PFASs acute inhalation toxicity: an integrated approach using QSAR, q-RASAR, and interspecies extrapolation.Archives of toxicology · 2026Article
- Prediction of Dielectric Constant in Series of Polymers by Quantitative Structure-Property Relationship (QSPR).Polymers · 2024Article
- Predicting Antitumor Activity of Anthrapyrazole Derivatives using Advanced Machine Learning Techniques.Current computer-aided drug design · 2024Article
- Internal Transcribed Spacer (ITS) Region of Nuclear Ribosomal DNA as a Suitable DNA Barcode for Identification of Zanthoxylum armatum DC. from Manipur.Molecular biotechnology · 2022Article
- Article
Corrections and comments
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Authors and funding
3 authors.
Funding
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Abstract
Molecular descriptors have been explored extensively. From these studies, it is known that a large number of descriptors are strongly correlated and capture similar characteristics of molecules. In this paper, we evaluate 919 Dragon-descriptors of 6 different categories by means of clustering. Also, we analyze these different categories of descriptors also find a subset of descriptors which are least correlated among each other and, hence, characterize molecular graphs distinctively.
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