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1. GCxGC-MS-Property-estimation GCxGC-MS-Property-estimation Public

   This R source code, which is available from the GitHub repository “GCxGC-MS-Property-estimation”, is developed for estimation properties from GCxGC data. When GCxGC-MS data as cdf format and retent…

   R 3

2. GCxGC-NMF-Classification GCxGC-NMF-Classification Public

   An R code for classifying GCxGC data based on a NMF algorithm

   R 1 1

3. GCxGC-MS-alignment GCxGC-MS-alignment Public

   Forked from GCxGC/GCxGC-MS-alignment

   algorithm for aligning GCxGC-MS chromatograms (Zushi et al., 2017)

   MATLAB

4. Mining-Structural-Information Mining-Structural-Information Public

   R codes for descriptor clustering, and descriptor-based QSAR based on XGBoost

   R