PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

Introduction PaDEL‐Descriptor is a software for calculating molecular descriptors and fingerprints. The software currently calculates 797 descriptors (663 1D, 2D descriptors, and 134 3D descriptors) and 10 types of fingerprints. These descriptors and fingerprints are calculated mainly using The Chem...

Full description

Saved in:
Bibliographic Details
Published in:Journal of computational chemistry 2011-05, Vol.32 (7), p.1466-1474
Main Author: Yap, Chun Wei
Format: Article
Language:English
Subjects:
Atoms & subatomic particles
Fingerprinting
Interfaces
Internet
Java
Models, Molecular
molecular descriptor
Molecular Dynamics Simulation
Molecular structure
open source
Open source software
Software
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!