Towards a systematic assessment of assay interference: Identification of extensively tested compounds with high assay promiscuity [version 2; referees: 3 approved]

by Erik Gilberg, Dagmar Stumpfe, Jürgen Bajorath
Published 2017-10-01

Computational method for the identification of third generation activity cliffs

by Dagmar Stumpfe, Huabin Hu, Jürgen Bajorath
Published 2020-01-01

Advancing the activity cliff concept [v1; ref status: indexed, http://f1000r.es/1wf]

by Ye Hu, Dagmar Stumpfe, Jürgen Bajorath
Published 2013-09-01

Rationalizing the Formation of Activity Cliffs in Different Compound Data Sets

by Huabin Hu, Dagmar Stumpfe, Jürgen Bajorath
Published 2018-07-01

Towards a systematic assessment of assay interference: Identification of extensively tested compounds with high assay promiscuity [version 1; referees: 2 approved]

by Erik Gilberg, Dagmar Stumpfe, Jürgen Bajorath
Published 2017-08-01

Comprehensive knowledge base of two- and three-dimensional activity cliffs for medicinal and computational chemistry [v1; ref status: indexed, http://f1000r.es/5ir]

by Ye Hu, Norbert Furtmann, Dagmar Stumpfe, Jürgen Bajorath
Published 2015-06-01

Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions

by Dimitar Yonchev, Martin Vogt, Dagmar Stumpfe, Ryo Kunimoto, Tomoyuki Miyao, Jürgen Bajorath
Published 2018-11-01

Advancing the activity cliff concept, part II [v1; ref status: indexed, http://f1000r.es/34p]

by Dagmar Stumpfe, Antonio de la Vega de León, Dilyana Dimova, Jürgen Bajorath
Published 2014-03-01

Systematic Extraction of Analogue Series from Large Compound Collections Using a New Computational Compound–Core Relationship Method

by J. Jesús Naveja, Martin Vogt, Dagmar Stumpfe, José L. Medina-Franco, Jürgen Bajorath
Published 2019-01-01