scholarly journals Systematic identification of target set-dependent activity cliffs

2019 ◽  
Vol 5 (2) ◽  
pp. FSO363 ◽  
Author(s):  
Huabin Hu ◽  
Dagmar Stumpfe ◽  
Jürgen Bajorath
2012 ◽  
Vol 52 (5) ◽  
pp. 1138-1145 ◽  
Author(s):  
Xiaoying Hu ◽  
Ye Hu ◽  
Martin Vogt ◽  
Dagmar Stumpfe ◽  
Jürgen Bajorath

2012 ◽  
Vol 52 (6) ◽  
pp. 1490-1498 ◽  
Author(s):  
Ye Hu ◽  
Norbert Furtmann ◽  
Michael Gütschow ◽  
Jürgen Bajorath

2020 ◽  
Vol 6 (5) ◽  
pp. FSO472
Author(s):  
Huabin Hu ◽  
Jürgen Bajorath

Aim: Extending the public knowledge base of activity cliffs (ACs) with new categories of ACs having special structural characteristics. Methodology: Dual-site ACs, isomer ACs and ACs with privileged substructures are described and their systematic identification is detailed. Exemplary results & data: More than 7400 new ACs belonging to different categories with activity against more than 200 targets were identified and are made publicly available. Limitations & next steps: For dual-site ACs, limited numbers of isomers are available as structural analogs for rationalizing contributions to AC formation. The search for such analogs will continue. In addition, the target distribution of ACs containing privileged substructures will be further analyzed.


2020 ◽  
Vol 12 (16) ◽  
pp. 1451-1455
Author(s):  
Huabin Hu ◽  
Jürgen Bajorath

2016 ◽  
Vol 54 (08) ◽  
Author(s):  
T Zhan ◽  
LI Franke ◽  
M Arnold ◽  
M Breinig ◽  
F Heigwer ◽  
...  

2001 ◽  
pp. 13-17
Author(s):  
Serhii Viktorovych Svystunov

In the 21st century, the world became a sign of globalization: global conflicts, global disasters, global economy, global Internet, etc. The Polish researcher Casimir Zhigulsky defines globalization as a kind of process, that is, the target set of characteristic changes that develop over time and occur in the modern world. These changes in general are reduced to mutual rapprochement, reduction of distances, the rapid appearance of a large number of different connections, contacts, exchanges, and to increase the dependence of society in almost all spheres of his life from what is happening in other, often very remote regions of the world.


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