article Open AccessTop 1% cited
PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints
Journal of Computational Chemistry · 2010 · Vol. 32(7) · pp. 1466–1474
Chun Wei Yap✉(National University of Singapore)
Abstract
PaDEL-Descriptor is a useful addition to the currently available molecular descriptor calculation software. The software can be downloaded at http://padel.nus.edu.sg/software/padeldescriptor.
Computational Drug Discovery MethodsVarious Chemistry Research TopicsChemistry and Chemical EngineeringSoftwareMolecular descriptorComputer scienceComponent (thermodynamics)Interface (matter)Graphical user interfacePattern recognition (psychology)Data miningArtificial intelligenceMachine learning
MeSH terms
Models, MolecularSoftwareInternetMolecular Dynamics Simulation
Funding
- National University of Singapore
Citations
2,876
FWCI
28.62
field-weighted impact
References
40
Percentile
100%
vs. same field & year
Citations per year
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References
Molecular Connectivity in Structure–activity Analysis
Journal of Pharmaceutical Sciences · 1987 · 631 citations
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PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints
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