Generating Various Molecular Representations for Chemicals, Proteins, DNAs, RNAs and Their Interactions

Calculating 293 chemical descriptors and 14 kinds of chemical fingerprints, 9920 protein descriptors based on protein sequences, more than 6000 DNA/RNA descriptors from nucleotide sequences, and six types of interaction descriptors using three different combining strategies.


Release 1 (2016-12-30)


  • initial release

Reference manual

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1.2.1 by Min-feng Zhu, 2 years ago

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Authors: Min-feng Zhu <[email protected]> , Jie Dong <[email protected]> , Dong-sheng Cao <[email protected]>

Documentation:   PDF Manual  

GPL (>= 2) license

Imports RCurl, rjson, rcdk, Biostrings, GOSemSim, MASS, ChemmineR, fmcsR, pls, randomForest, utils, stats, graphics, methods,

Suggests RUnit, BiocGenerics

System requirements: Java JDK 1.8 or higher

See at CRAN