These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
159 related articles for article (PubMed ID: 32977219)
1. Activity cliffs produced by single-atom modification of active compounds: Systematic identification and rationalization based on X-ray structures. Hu H; Bajorath J Eur J Med Chem; 2020 Dec; 207():112846. PubMed ID: 32977219 [TBL] [Abstract][Full Text] [Related]
2. Data set of activity cliffs with single-atom modification and associated X-ray structure information for medicinal and computational chemistry applications. Hu H; Bajorath J Data Brief; 2020 Dec; 33():106364. PubMed ID: 33088875 [TBL] [Abstract][Full Text] [Related]
3. Systematic identification of activity cliffs with dual-atom replacements and their rationalization on the basis of single-atom replacement analogs and X-ray structures. Hu H; Bajorath J Chem Biol Drug Des; 2022 Feb; 99(2):308-319. PubMed ID: 34806310 [TBL] [Abstract][Full Text] [Related]
4. Introducing a new category of activity cliffs with chemical modifications at multiple sites and rationalizing contributions of individual substitutions. Stumpfe D; Hu H; Bajorath J Bioorg Med Chem; 2019 Aug; 27(16):3605-3612. PubMed ID: 31272836 [TBL] [Abstract][Full Text] [Related]
5. Computational method for the identification of third generation activity cliffs. Stumpfe D; Hu H; Bajorath J MethodsX; 2020; 7():100793. PubMed ID: 31993342 [TBL] [Abstract][Full Text] [Related]
6. Activity cliff clusters as a source of structure-activity relationship information. Dimova D; Stumpfe D; Hu Y; Bajorath J Expert Opin Drug Discov; 2015 May; 10(5):441-7. PubMed ID: 25715967 [TBL] [Abstract][Full Text] [Related]
7. Monitoring global growth of activity cliff information over time and assessing activity cliff frequencies and distributions. Stumpfe D; Bajorath J Future Med Chem; 2015 Aug; 7(12):1565-79. PubMed ID: 26334207 [TBL] [Abstract][Full Text] [Related]
9. Identification of Interaction Hot Spots in Structures of Drug Targets on the Basis of Three-Dimensional Activity Cliff Information. Furtmann N; Hu Y; Gütschow M; Bajorath J Chem Biol Drug Des; 2015 Dec; 86(6):1458-65. PubMed ID: 26094578 [TBL] [Abstract][Full Text] [Related]