PaDEL-descriptor specifications

Unique identifier:
OMICS_18215
Interface:
Command line interface, Graphical user interface
Input data:
A single structural file or a directory containing the molecules' structural files.
Output data:
A complete descriptor.
Operating system:
Unix/Linux, Mac OS, Windows
Computer skills:
Advanced
Stability:
Stable
Maintained:
Yes
Software type:
Package/Module
Restrictions to use:
None
Input format:
MDL mol, SMILES
Output format:
CSV
Programming languages:
Java
Version:
2.21
Source code URL:
http://www.yapcwsoft.com/dd/padeldescriptor/PaDEL-Descriptor_src.zip

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PaDEL-descriptor distribution

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PaDEL-descriptor support

Maintainer

  • Chun Wei Yap <>

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Publications

Institution(s)

Department of Pharmacy, Pharmaceutical Data Exploration Laboratory, National University of Singapore, Singapore

Funding source(s)

This work was supported by the National University of Singapore (NUS) start-up grant R-148-000-105-133.

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