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Table 5 Differences of software packages for descriptor calculation

From: PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions

Tool names

Retrieving molecules

Pretreating molecules

Chemical descriptors/fingerprints

Protein descriptors

DNA/RNA descriptors

Interaction descriptors

PyBioMed

√

√

√

√

√

√

PyDPI

  

√

√

 

√

ChemoPy

  

√

   

Cinfony

  

√

   

RDKit

 

√

√

   

CDK

  

√

   

rcdk

  

√

   

PaDEL

  

√

   

BioJava

√

√

 

√

  

Rcpi

  

√

√

 

√

ChemmineR

√

 

√

   

Propy

   

√

  

RepDNA

    

√

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