Databases, Chemical

Known as: Chemical Database, Chemical Databases, Database, Chemical 
Databases devoted to knowledge about specific chemicals.
National Institutes of Health

Topic mentions per year

Topic mentions per year

2000-2017
02420002017

Papers overview

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2015
2015
BACKGROUND The past decade has seen an upsurge in the number of publications in chemistry. The ever-swelling volume of available… (More)
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2015
2015
BACKGROUND A wide range of chemical compound databases are currently available for pharmaceutical research. To retrieve compound… (More)
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2015
2015
We are developing a database named 3DMET, a three-dimensional structure database of natural metabolites. There are two major… (More)
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2009
2009
We present a tunable, machine vision-based strategy for automated annotation of virtual small molecule databases. The proposed… (More)
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2006
2006
A novel automated lazy learning quantitative structure-activity relationship (ALL-QSAR) modeling approach has been developed on… (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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2000
2000
A Java based development tool for building portable chemical information systems is presented. The system contains applets for… (More)
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2000
2000
We describe a rapid algorithm for visualizing large chemical databases in a low-dimensional space (2D or 3D) as a rst step in… (More)
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2000
2000
At the early stage of drug discovery, many thousands of chemical compounds can be synthesized and tested (assayed) for potency… (More)
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2000
2000
A new mutual molecular dataset diversity index (MMDDI), individual molecular dataset diversity index (IMDDI), and volume ratio… (More)
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