publications

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2014

Gütlein, Martin; Karwath, Andreas; Kramer, Stefan

CheS-Mapper 2.0 for visual validation of (Q)SAR models Journal Article

In: J. Cheminformatics, vol. 6, no. 1, pp. 41, 2014.

Abstract | Links | BibTeX | Tags: cheminformatics, data mining, graph mining, validation, visualization

2006

Karwath, Andreas; De Raedt, Luc

SMIREP: Predicting Chemical Activity from SMILES Journal Article

In: Journal of Chemical Information and Modeling, vol. 46, no. 6, pp. 2432 - 2444, 2006.

Abstract | Links | BibTeX | Tags: cheminformatics, graph mining, machine learning, QSAR, relational learning, scientific knowledge

2004

Bringmann, Björn; Karwath, Andreas

Frequent SMILES Miscellaneous

Lernen, Wissensentdeckung und Adaptivität, Workshop GI Fachgruppe Maschinelles Lernen, part of LWA, 2004, (Berlin, Germany).

Abstract | BibTeX | Tags: cheminformatics, graph mining, machine learning

Karwath, Andreas; De Raedt, Luc

Predictive Graph Mining Conference

The International Workshop on Mining Graphs, Trees and Sequences, MGTS 2004, 2004, (workshop).

BibTeX | Tags: cheminformatics, graph mining, machine learning, QSAR

Karwath, Andreas; De Raedt, Luc

Predictive Graph Mining Conference

The 7th International Conference of Discovery Science, DS 2004, vol. 3245, Lecture Notes in Artificial Intelligence Springer-Verlag Berlin Heidelberg Springer Verlag, Berlin Heidelberg, Germany, 2004, ISBN: 978-3-540-23357-2.

Abstract | Links | BibTeX | Tags: cheminformatics, graph mining, machine learning, QSAR