Molecular descriptor

Known as: Descriptor 
Molecular descriptors play a fundamental role in chemistry, pharmaceutical sciences, environmental protection policy, and health researches, as well… (More)
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2013
2013
We present an algorithm to compute molecular graph descriptors considering the stereochemistry of the molecular structure based… (More)
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Highly Cited
2011
Highly Cited
2011
INTRODUCTION PaDEL-Descriptor is a software for calculating molecular descriptors and fingerprints. The software currently… (More)
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Highly Cited
2009
Highly Cited
2009
Different molecular descriptors capture different aspects of molecular structures, but this effect has not yet been quantified… (More)
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Highly Cited
2009
2009
2009
A correlating study of topological indices TIs provided by TOPOCLUJ software package and LEL, a newly proposed index built up on… (More)
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Highly Cited
2008
Highly Cited
2008
MOTIVATION Identifying protein enzymatic or pharmacological activities are important areas of research in biology and chemistry… (More)
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Highly Cited
2006
Highly Cited
2006
Due to the relevance that molecular descriptors are constantly gaining in several scientific fields, software for the calculation… (More)
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Highly Cited
2000
Highly Cited
1996
Highly Cited
1996
A software package is described that operates on small molecules observed in the PDB collection of protein structures. Molecular… (More)
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Highly Cited
1996
Highly Cited
1996
Similarity searches using topological descriptors have proved extremely useful in aiding large-scale screening. We describe… (More)
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