Advancing the activity cliff concept

por Hu, Ye, Stumpfe, Dagmar, Bajorath, Jürgen
Publicado 2013

Towards a systematic assessment of assay interference: Identification of extensively tested compounds with high assay promiscuity

por Gilberg, Erik, Stumpfe, Dagmar, Bajorath, Jürgen
Publicado 2017

Computational design of new molecular scaffolds for medicinal chemistry, part II: generalization of analog series-based scaffolds

por Dimova, Dilyana, Stumpfe, Dagmar, Bajorath, Jürgen
Publicado 2017

Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference

por Stumpfe, Dagmar, Gilberg, Erik, Bajorath, Jürgen
Publicado 2018

X-ray-Structure-Based Identification of Compounds with Activity against Targets from Different Families and Generation of Templates for Multitarget Ligand Design

por Gilberg, Erik, Stumpfe, Dagmar, Bajorath, Jürgen
Publicado 2018

Systematic identification of target set-dependent activity cliffs

por Hu, Huabin, Stumpfe, Dagmar, Bajorath, Jürgen
Publicado 2019

Rationalizing the Formation of Activity Cliffs in Different Compound Data Sets

por Hu, Huabin, Stumpfe, Dagmar, Bajorath, Jürgen
Publicado 2018

Evolving Concept of Activity Cliffs

por Stumpfe, Dagmar, Hu, Huabin, Bajorath, Jürgen
Publicado 2019

Computational method for the identification of third generation activity cliffs

por Stumpfe, Dagmar, Hu, Huabin, Bajorath, Jürgen
Publicado 2020

Advances in exploring activity cliffs

por Stumpfe, Dagmar, Hu, Huabin, Bajorath, Jürgen
Publicado 2020

Analog series-based scaffolds: computational design and exploration of a new type of molecular scaffolds for medicinal chemistry

por Dimova, Dilyana, Stumpfe, Dagmar, Hu, Ye, Bajorath, Jürgen
Publicado 2016

Data-Driven Analysis of Fluorination of Ligands of Aminergic G Protein Coupled Receptors

por Pietruś, Wojciech, Kurczab, Rafał, Stumpfe, Dagmar, Bojarski, Andrzej J., Bajorath, Jürgen
Publicado 2021

Follow up: Advancing the activity cliff concept, part II

por Stumpfe, Dagmar, de la Vega de León, Antonio, Dimova, Dilyana, Bajorath, Jürgen
Publicado 2014

Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions

por Yonchev, Dimitar, Vogt, Martin, Stumpfe, Dagmar, Kunimoto, Ryo, Miyao, Tomoyuki, Bajorath, Jürgen
Publicado 2018

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

por Naveja, J. Jesús, Vogt, Martin, Stumpfe, Dagmar, Medina-Franco, José L., Bajorath, Jürgen
Publicado 2019