OpenBabel

Open Babel is free software, a chemical expert system mainly used for converting chemical file formats. Due to the strong relationship to informatics… (More)
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Topic mentions per year

Topic mentions per year

2005-2017
01220052017

Papers overview

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2017
2017
Many increasingly prevalent diseases share a common risk factor: age. However, little is known about pharmaceutical interventions… (More)
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2015
2015
The acid dissociation constant is an important molecular property, and it can be successfully predicted by Quantitative Structure… (More)
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2015
2015
We have developed EpiDBase (www.epidbase.org), an interactive database of small molecule ligands of epigenetic protein families… (More)
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2014
2014
We have developed SMMRNA, an interactive database, available at http://www.smmrna.org, with special focus on small molecule… (More)
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Review
2012
Review
2012
We present the results and analysis of our chemical structure recognition system, MolRec, in the CLEF 2012 chemical structure… (More)
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2012
2012
Started in 1993, the Debian project is one of the oldest Free Software projects. Due to its volunteer nature, specialists from… (More)
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2011
2011
During the last year we have developed Open3DQSAR, an open-source tool aimed at high-throughput 3DQSAR model building and… (More)
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2008
2008
Drug discovery and chemical biology are exceedingly complex and demanding enterprises. In recent years there are been increasing… (More)
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2007
2007
We developed a Docking-based Virtual Screening (DOVIS) pipeline to predict how small molecules may interact with a given protein… (More)
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2005
2005
Predicting the properties and behavior of materials by computer simulation from a fundamental, ab initio perspective has long… (More)
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