Graph-Based Activity Cliff Modeling is a computational method that identifies and analyzes activity cliffs by representing structure-activity relationships as a molecular graph network, where structural similarity and activity differences are encoded as edges to reveal abrupt potency changes among closely related compounds.
18
Publications
1.2K
Citations
52
Authors
22
Institutions
Publications per year
2017–2026
7
Parents
Publications
18
Exploring Activity Cliffs in Medicinal Chemistry
Dagmar Stumpfe, Jürgen Bajorath · Journal of Medicinal Chemistry · 2012 · 365 citations · Full text
Representation and identification of activity cliffs
Jürgen Bajorath · Expert Opinion on Drug Discovery · 2017 · 56 citations · Full text
1–5 of 18
Authors
52
- JB
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- DD
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- JL
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- DS
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1–5 of 52
Institutions
22
University of Bonn
Bonn, Germany
10 h-index
24 publications
1.3K citations
University of Arizona
Tucson, United States
1 h-index
1 publications
11 citations
Boehringer Ingelheim (Germany)
Ingelheim, Germany
1 h-index
3 publications
120 citations
University of Jordan
Amman, Jordan
1 h-index
2 publications
20 citations
CE Technologies (United Kingdom)
Nuneaton, United Kingdom
1 h-index
1 publications
10 citations
Translational Genomics Research Institute
Phoenix, United States
1 h-index
1 publications
11 citations
Universidad Nacional Autónoma de México
Mexico City, Mexico
1 h-index
2 publications
62 citations
Dalian University of Technology
Dalian, China
1 h-index
4 publications
284 citations
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Venues
- Journal of Chemical Information and Modeling
JCIM · 4 publications · 287 citations
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- European Journal of Medicinal Chemistry
2 publications · 23 citations
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- Journal of Medicinal Chemistry
2 publications · 375 citations
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- Journal of Computer-Aided Molecular Design
2 publications · 21 citations
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- Environmental Science & Technology
1 publications · 71 citations
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