Advances in exploring activity cliffs
Stumpfe, Dagmar, Hu, Huabin, Bajorath, Jürgen
Published in Journal of computer-aided molecular design (01.09.2020)
Published in Journal of computer-aided molecular design (01.09.2020)
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Journal Article
Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candidates for Polypharmacology
Gilberg, Erik, Jasial, Swarit, Stumpfe, Dagmar, Dimova, Dilyana, Bajorath, Jürgen
Published in Journal of medicinal chemistry (23.11.2016)
Published in Journal of medicinal chemistry (23.11.2016)
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Journal Article
Composition and Topology of Activity Cliff Clusters Formed by Bioactive Compounds
Stumpfe, Dagmar, Dimova, Dilyana, Bajorath, Jürgen
Published in Journal of chemical information and modeling (24.02.2014)
Published in Journal of chemical information and modeling (24.02.2014)
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Journal Article
Ligand Prediction from Protein Sequence and Small Molecule Information Using Support Vector Machines and Fingerprint Descriptors
Geppert, Hanna, Humrich, Jens, Stumpfe, Dagmar, Gärtner, Thomas, Bajorath, Jürgen
Published in Journal of Chemical Information and Modeling (27.04.2009)
Published in Journal of Chemical Information and Modeling (27.04.2009)
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Journal Article
Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions
Yonchev, Dimitar, Vogt, Martin, Stumpfe, Dagmar, Kunimoto, Ryo, Miyao, Tomoyuki, Bajorath, Jürgen
Published in ACS omega (30.11.2018)
Published in ACS omega (30.11.2018)
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Journal Article
Comprehensive knowledge base of two- and three-dimensional activity cliffs for medicinal and computational chemistry
Hu, Ye, Furtmann, Norbert, Stumpfe, Dagmar, Bajorath, Jürgen
Published in F1000 research (25.06.2015)
Published in F1000 research (25.06.2015)
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Journal Article