Chemical space

Chemical space is a concept in cheminformatics referring to the property space spanned by all possible molecules and chemical compounds adhering to a… (More)
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Topic mentions per year

Topic mentions per year

1986-2017
0204019862017

Papers overview

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2014
2014
The concept of chemical space is playing an increasingly important role in many areas of chemical research, especially medicinal… (More)
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2012
2012
Drug molecules consist of a few tens of atoms connected by covalent bonds. How many such molecules are possible in total and what… (More)
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2011
2011
pepMMsMIMIC is a novel web-oriented peptidomimetic compound virtual screening tool based on a multi-conformers three-dimensional… (More)
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2011
2011
Many areas of chemical biology, such as drug discovery, rely heavily on chemical libraries offering compounds usable in the… (More)
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Highly Cited
2010
Highly Cited
2010
MOTIVATION In silico prediction of drug-target interactions from heterogeneous biological data is critical in the search for… (More)
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2009
2009
Internet has become a central source for information, tools, and services facilitating the work for medicinal chemists and drug… (More)
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2008
2008
Selecting most rigorous quantitative structure-activity relationship (QSAR) approaches is of great importance in the development… (More)
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2007
2007
Chemical fragment spaces are combinations of molecular fragments and connection rules. They offer the possibility to encode an… (More)
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2007
2007
UNLABELLED ChemDB is a chemical database containing nearly 5M commercially available small molecules, important for use as… (More)
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2006
Highly Cited
2006
The increasing amount of genomic and molecular information is the basis for understanding higher-order biological systems, such… (More)
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