MetCCS
Published in Bioinformatics, 2017
Recommended citation: Zhou, Zhiwei, Xin Xiong, and Zheng-Jiang Zhu. "MetCCS predictor: a web server for predicting collision cross-section values of metabolites in ion mobility-mass spectrometry based metabolomics." Bioinformatics 33.14 (2017): 2235-2237. https://doi.org/10.1093/bioinformatics/btx140
Here, we developed the first web server, namely, MetCCS Predictor, for predicting CCS values. It can predict the CCS values of metabolites using molecular descriptors within a few seconds. Common users with limited background on bioinformatics can benefit from this software and effectively improve the metabolite identification in metabolomics.
Website: http://www.metabolomics-shanghai.org/MetCCS/
Main contribution: I designed and created the whole website which can predict CCS values by R package and query CCS values by MySQL from backend. I also designed the logo of this program.