scholarly journals Structure-Based Predictions of Activity Cliffs

2015 ◽  
Vol 55 (5) ◽  
pp. 1062-1076 ◽  
Author(s):  
Jarmila Husby ◽  
Giovanni Bottegoni ◽  
Irina Kufareva ◽  
Ruben Abagyan ◽  
Andrea Cavalli
Keyword(s):  
Activity Cliffs

scholarly journals Chemical space, diversity and activity landscape analysis of estrogen receptor binders

RSC Advances ◽  
2018 ◽  
Vol 8 (67) ◽  
pp. 38229-38237 ◽  
Author(s):  
J. Jesús Naveja ◽  
Ulf Norinder ◽  
Daniel Mucs ◽  
Edgar López-López ◽  
Josė L. Medina-Franco
Keyword(s):  
Estrogen Receptor ◽  
Chemical Space ◽  
Endocrine Disrupting Chemicals ◽  
Landscape Analysis ◽  
Space Diversity ◽  
Global Diversity ◽  
Structure Level ◽  
Endocrine Disrupting ◽  
Activity Cliffs

Global diversity and activity landscape analysis of endocrine-disrupting chemicals identifies activity cliffs that are rationalized at the structure level.

Exploring Activity Cliffs from a Chemoinformatics Perspective

2014 ◽  
Vol 33 (6-7) ◽  
pp. 438-442 ◽  
Author(s):  
Jürgen Bajorath
Keyword(s):  
Activity Cliffs

Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account

2013 ◽  
Vol 27 (2) ◽  
pp. 115-124 ◽  
Author(s):  
Ye Hu ◽  
Gerald M. Maggiora ◽  
Jürgen Bajorath
Keyword(s):  
Activity Cliffs

scholarly journals Systematic identification of target set-dependent activity cliffs

2019 ◽  
Vol 5 (2) ◽  
pp. FSO363 ◽  
Author(s):  
Huabin Hu ◽  
Dagmar Stumpfe ◽  
Jürgen Bajorath
Keyword(s):  
Dependent Activity ◽  
Target Set ◽  
Systematic Identification ◽  
Activity Cliffs
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