Andreas Teckentrup
Boehringer Ingelheim
15 Papers
215 Citations
Andreas Teckentrup is an academic researcher from Boehringer Ingelheim. The author has contributed to research in topics: Hierarchical clustering & Artificial neural network. The author has an hindex of 9, co-authored 15 publications. Previous affiliations of Andreas Teckentrup include University of Erlangen-Nuremberg & Goethe University Frankfurt.
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Papers
Structure-activity relationship anatomy by network-like similarity graphs and local structure-activity relationship indices.
TL;DR: An approach that combines the analysis of similarity-based molecular networks and SAR index distributions to identify multiple SAR components present within sets of active compounds to identify key compounds that are major determinants of SAR characteristics is introduced.
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Neural networks as data mining tools in drug design
TL;DR: In this paper, self-organizing neural networks are used for investigating datasets both by unsupervised and by supervised learning, which can be used for exploring different structure representations, for establishing quantitative structure-activity relationships and for handling compounds having multicategory activities.
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Status of HTS Data Mining Approaches
TL;DR: This review gives an overview of the most frequently employed computational techniques for the analysis of large compound collections and the establishment of first QSAR models.
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Exploration of structure-activity relationship determinants in analogue series.
TL;DR: A computational methodology is introduced to systematically organize compound analogue series according to substitution sites and identify combinations of sites that determine structure-activity relationships (SARs) and make large contributions to SAR discontinuity.
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