iATC-FRAKEL: A simple multi-label web-server for recognizing anatomical therapeutic chemical classes of drugs with their fingerprints only

Bioinformatics
Jian-Peng ZhouMin Liu

Abstract

Anatomical therapeutic chemical (ATC) classification system is very important for drug utilization and studies. Correct prediction of the 14 classes in the first level for given drugs is an essential problem for the study on such system. Several multi-label classifiers have been proposed in this regard. However, only two of them provided the web-servers and their performance was not very high. On the other hand, although some rest classifiers can provide better performance, they were built based on some prior knowledge on drugs, such as information of chemical-chemical interaction and chemical ontology, leading to limited applications. Furthermore, provided codes of these classifiers are almost inaccessible for pharmacologists. In this study, we built a simple web-server, namely iATC-FRAKEL. This web-server only required the SMILES format of drugs as input and extracted their fingerprints for making prediction. The performance of the iATC-FRAKEL was much higher than all existing web-servers and was comparable to the best multi-label classifier but had much wider applications. Such web server can be visited at http://cie.shmtu.edu.cn/iatc/index. The web-server is available at http://cie.shmtu.edu.cn/iatc/index. Supplementary dat...Continue Reading

Citations

Jun 13, 2020·Frontiers in Bioengineering and Biotechnology·Shiqi ZhangYu-Dong Cai
Dec 18, 2020·Frontiers in Genetics·Yu-Hang ZhangYu-Dong Cai
Dec 18, 2020·Frontiers in Molecular Biosciences·Lei ChenYu-Dong Cai
Jan 29, 2021·Frontiers in Cell and Developmental Biology·Yu-Hang ZhangYu-Dong Cai
Aug 29, 2020·Biochimica Et Biophysica Acta. Proteins and Proteomics·Xiaolin Zhang, Lei Chen
Feb 10, 2021·Biochimica Et Biophysica Acta. Proteins and Proteomics·Yu-Hang ZhangYu-Dong Cai
Feb 16, 2021·Frontiers in Genetics·Xiaoyong PanYu-Dong Cai
Aug 10, 2020·Biochimica Et Biophysica Acta. Molecular Basis of Disease·Haiyan Liang Aorigele
Apr 30, 2021·Molecular Genetics and Genomics : MGG·Lei ChenYu-Dong Cai
Jul 3, 2021·Life·Yu-Hang ZhangYu-Dong Cai
Jun 15, 2021·Computational and Mathematical Methods in Medicine·Lei WangMingming Chang
Jul 27, 2021·BioMed Research International·Lei ChenYu-Dong Cai
Jul 27, 2021·Frontiers in Microbiology·Yu-Hang ZhangYu-Dong Cai
May 4, 2020·Biochimica Et Biophysica Acta. Molecular Basis of Disease·Fei YuanQuan Zou
Sep 14, 2021·Frontiers in Cell and Developmental Biology·Lei ChenYu-Dong Cai
Oct 16, 2021·Briefings in Bioinformatics·Wending TangJunfeng Xia

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