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Molecular Pharmaceutics|January 25, 2020
Systematic Exploration of Activity Cliffs Containing Privileged SubstructuresHuabin Hu, Jürgen BajorathJournal of Computer-Aided Molecular Design|June 6, 2020
Simplified activity cliff network representations with high interpretability and immediate access to SAR informationHuabin Hu, Jürgen BajorathBioorganic & Medicinal Chemistry|June 3, 2021
Systematic assessment of structure-promiscuity relationships between different types of kinase inhibitorsHuabin Hu, Jürgen BajorathBioorganic & Medicinal Chemistry|December 11, 2019
Exploring structure-promiscuity relationships using dual-site promiscuity cliffs and corresponding single-site analogsHuabin Hu, Jürgen BajorathEuropean Journal of Medicinal Chemistry|September 25, 2020
Activity cliffs produced by single-atom modification of active compounds: Systematic identification and rationalization based on X-ray structuresHuabin Hu, Jürgen BajorathRSC Medicinal Chemistry|January 22, 2021
Introducing a new category of activity cliffs combining different compound similarity criteriaHuabin Hu, Jürgen BajorathFuture Science OA|June 11, 2020
Increasing the public activity cliff knowledge base with new categories of activity cliffsHuabin Hu, Jürgen BajorathChemical Biology & Drug Design|November 22, 2021
Systematic identification of activity cliffs with dual-atom replacements and their rationalization on the basis of single-atom replacement analogs and X-ray structuresHuabin Hu, Jürgen BajorathData in Brief|October 22, 2020
Data set of activity cliffs with single-atom modification and associated X-ray structure information for medicinal and computational chemistry applicationsHuabin Hu, Jürgen BajorathFuture Science OA|March 5, 2019
Systematic identification of target set-dependent activity cliffsHuabin Hu, Dagmar Stumpfe, Jürgen BajorathPageof 63