Chemical similarity

Known as: Molecular similarity, Similarity 
Chemical similarity (or molecular similarity) refers to the similarity of chemical elements, molecules or chemical compounds with respect to either… (More)
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2016
2016
The growing productivity gap between investment in drug research and development (R&D) and the number of new medicines approved… (More)
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2010
2010
As repositories of chemical molecules continue to expand and become more open, it becomes increasingly important to develop tools… (More)
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Review
2004
Review
2004
Although the concept of similarity is a convenient for humans, a formal definition of similarity between chemical compounds is… (More)
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Highly Cited
2004
Highly Cited
2004
A molecular similarity searching technique based on atom environments, information-gain-based feature selection, and the naive… (More)
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Highly Cited
2002
Highly Cited
2002
A new graph similarity calculation procedure is introduced for comparing labeled graphs. Given a minimum similarity threshold… (More)
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2002
2002
“Moléculas similares exercem atividades farmacológicas similares”. Baseados neste conceito, os(as) químicos(as) medicinais… (More)
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Highly Cited
1999
Highly Cited
1999
Comparative molecular field analysis has been applied to a data set of thermolysin inhibitors. Fields expressed in terms of… (More)
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Review
1998
Review
1998
This paper reviews the use of similarity searching in chemical databases. It begins by introducing the concept of similarity… (More)
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Highly Cited
1998
Highly Cited
1998
With the growth of interest in database searching and compound selection, the quantification of chemical similarity has become an… (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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