Search Results - "Fannes, Thomas"
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Non a Priori Automatic Discovery of 3D Chemical Patterns: Application to Mutagenicity
Published in Molecular informatics (01-10-2017)“…This article introduces a new type of structural fragment called a geometrical pattern. Such geometrical patterns are defined as molecular graphs that include…”
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Journal Article -
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Predicting Tryptic Cleavage from Proteomics Data Using Decision Tree Ensembles
Published in Journal of proteome research (03-05-2013)“…Trypsin is the workhorse protease in mass spectrometry-based proteomics experiments and is used to digest proteins into more readily analyzable peptides. To…”
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Journal Article -
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An efficiently computable subgraph pattern support measure: counting independent observations
Published in Data mining and knowledge discovery (01-11-2013)“…Graph support measures are functions measuring how frequently a given subgraph pattern occurs in a given database graph. An important class of support measures…”
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Journal Article