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Molecular Pharmaceutics
|
January 25, 2020
Systematic Exploration of Activity Cliffs Containing Privileged Substructures
Huabin Hu, Jürgen Bajorath
European 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 structures
Huabin Hu, Jürgen Bajorath
RSC Medicinal Chemistry
|
January 22, 2021
Introducing a new category of activity cliffs combining different compound similarity criteria
Huabin Hu, Jürgen Bajorath
Journal of Computer-Aided Molecular Design
|
June 6, 2020
Simplified activity cliff network representations with high interpretability and immediate access to SAR information
Huabin Hu, Jürgen Bajorath
Bioorganic & Medicinal Chemistry
|
June 3, 2021
Systematic assessment of structure-promiscuity relationships between different types of kinase inhibitors
Huabin Hu, Jürgen Bajorath
Future Medicinal Chemistry
|
July 9, 2020
Evidence for the presence of core structure-dependent activity cliffs
Huabin Hu, Jürgen Bajorath
Bioorganic & Medicinal Chemistry
|
December 11, 2019
Exploring structure-promiscuity relationships using dual-site promiscuity cliffs and corresponding single-site analogs
Huabin Hu, Jürgen Bajorath
Future Science OA
|
June 11, 2020
Increasing the public activity cliff knowledge base with new categories of activity cliffs
Huabin Hu, Jürgen Bajorath
Chemical 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 structures
Huabin Hu, Jürgen Bajorath
Data 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 applications
Huabin Hu, Jürgen Bajorath
Page
of 12
Search research articles
Search
Showing results (1-10 of 113) with videos related to
Sort By:
Page
of 12
Molecular Pharmaceutics
|
January 25, 2020
Systematic Exploration of Activity Cliffs Containing Privileged Substructures
Huabin Hu, Jürgen Bajorath
European 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 structures
Huabin Hu, Jürgen Bajorath
RSC Medicinal Chemistry
|
January 22, 2021
Introducing a new category of activity cliffs combining different compound similarity criteria
Huabin Hu, Jürgen Bajorath
Journal of Computer-Aided Molecular Design
|
June 6, 2020
Simplified activity cliff network representations with high interpretability and immediate access to SAR information
Huabin Hu, Jürgen Bajorath
Bioorganic & Medicinal Chemistry
|
June 3, 2021
Systematic assessment of structure-promiscuity relationships between different types of kinase inhibitors
Huabin Hu, Jürgen Bajorath
Future Medicinal Chemistry
|
July 9, 2020
Evidence for the presence of core structure-dependent activity cliffs
Huabin Hu, Jürgen Bajorath
Bioorganic & Medicinal Chemistry
|
December 11, 2019
Exploring structure-promiscuity relationships using dual-site promiscuity cliffs and corresponding single-site analogs
Huabin Hu, Jürgen Bajorath
Future Science OA
|
June 11, 2020
Increasing the public activity cliff knowledge base with new categories of activity cliffs
Huabin Hu, Jürgen Bajorath
Chemical 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 structures
Huabin Hu, Jürgen Bajorath
Data 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 applications
Huabin Hu, Jürgen Bajorath
Page
of 12