ArticleJournal of chemical information and modeling2025
iSIM-Sigma: Efficient Standard Deviation Calculation for Molecular Similarity.
Article in Journal of chemical information and modeling, 2025. 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.
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.
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Who cites it
5 citing papers in PubMed.
- Efficient visualization of chemical space.Chemical science · 2026Article
- Undersampling Techniques for Nonlinear Chemical Space Visualization.Molecular informatics · 2026Article
- Best practices to cluster large molecular libraries.bioRxiv : the preprint server for biology · 2026Article
- Interpretable and Scalable Similarity Metrics for DNA-Encoded Library Design Using Generative Topographic Mapping.Molecular informatics · 2026Article
- Efficiently finding activity cliffs.bioRxiv : the preprint server for biology · 2025Article
Corrections and comments
- Update of
Authors and funding
3 authors.
Funding
Abstract
The average and variance of the molecular similarities in a set are of high value and useful for cheminformatics tasks such as chemical space exploration and subset selection. However, the calculation of the variance of the complete similarity matrix has a quadratic complexity,
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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.