Published July 25, 2026 | Version v2.0.2

CSP-Analyzer

Description

A fast machine-learning-based desktop application for automated analysis of two-dimensional NMR spectra in NMR fragment-based screening. It reads Bruker TopSpin peaklists, compares each experiment spectrum against a reference using computer-vision descriptors, and classifies spectra as active or inactive via a SMOTE-ENN / PCA / SVM pipeline. Cross-platform (.NET 8 / Avalonia) with a bundled Python backend.

Files

rubbs14/CSP-Analyzer-v2.0.2.zip

Files (1.3 MB)

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Additional details

Related works

Is supplement to
Journal article: 10.1016/j.csbj.2020.02.015 (DOI)
Is supplemented by
Software: https://github.com/rubbs14/CSP-Analyzer (URL)

Funding

European Commission
AEGIS - Accelerated Early staGe drug diScovery 675555