Nils Weskamp

13 papers B 1Journal 8Unranked 3
YearRankTypeTitle / Venue / Authors
2026 J jnl
Improving the Stability and Transferability of Effective ADMET Models by Adding Quantum Mechanical Descriptors.
J. Chem. Inf. Model.
Ashmita Bose, Gian-Luca R. Anselmetti, Matthias Degroote, Nikolaj Moll, Raffaele Santagati, Michael Streif, Nils Weskamp, Alexandre Tkatchenko
2022 J jnl
Benchmarking Molecular Feature Attribution Methods with Activity Cliffs.
J. Chem. Inf. Model.
José Jiménez-Luna, Miha Skalic, Nils Weskamp
2021 J jnl
Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment.
J. Chem. Inf. Model.
José Jiménez-Luna, Miha Skalic, Nils Weskamp, Gisbert Schneider
2015 J jnl
Matched Peptides: Tuning Matched Molecular Pair Analysis for Biopharmaceutical Applications.
J. Chem. Inf. Model.
Julian E. Fuchs, Bernd Wellenzohn, Nils Weskamp, Klaus R. Liedl
2012 J jnl
SAR Matrices: Automated Extraction of Information-Rich SAR Tables from Large Compound Data Sets.
J. Chem. Inf. Model.
Anne Mai Wassermann, Peter Haebel, Nils Weskamp, Jürgen Bajorath
2007 B conf
Graph Alignment: Fuzzy Pattern Mining for the Structural Analysis of Protein Active Sites.
FUZZ-IEEE
Eyke Hüllermeier, Nils Weskamp, Gerhard Klebe, Daniel Kuhn
2007 J jnl
Multiple Graph Alignment for the Structural Analysis of Protein Active Sites.
IEEE ACM Trans. Comput. Biol. Bioinform.
Nils Weskamp, Eyke Hüllermeier, Daniel Kuhn, Gerhard Klebe
2006 — —
Effiziente Algorithmen zur Musterentdeckung in strukturierten Objekten mit Anwendungen im strukturbasierten Wirkstoffdesign (Efficient Algorithms for Robust Pattern Mining on Structured Objects with Applications to Structure-Based Drug Design)
Nils Weskamp
2005 J jnl
Clustering of gene expression data using a local shape-based similarity measure.
Bioinform.
Rajarajeswari Balasubramaniyan, Eyke Hüllermeier, Nils Weskamp, Jörg Kämper
2004 J jnl
Efficient similarity search in protein structure databases by k-clique hashing.
Bioinform.
Nils Weskamp, Daniel Kuhn, Eyke Hüllermeier, Gerhard Klebe
2004 — conf
Graph Alignments: A New Concept to Detect Conserved Regions in Protein Active Sites.
German Conference on Bioinformatics
Nils Weskamp, Eyke Hüllermeier, Daniel Kuhn, Gerhard Klebe
2003 — conf
Efficient Similarity Search in Protein Structure Databases: Improving Cliqae-Detection through Clique Hashing.
German Conference on Bioinformatics
Nils Weskamp, Daniel Kuhn, Eyke Hüllermeier, Gerhard Klebe
2003 — conf
High-Level Process Control in Eden.
Euro-Par
Jost Berthold, Ulrike Klusik, Rita Loogen, Steffen Priebe, Nils Weskamp