doi: 10.1021/jm100933w.
Epub 2010 Sep 16.
Activity landscape representations for structure-activity relationship analysis
Affiliations
- PMID: 20845971
- DOI: 10.1021/jm100933w
Item in Clipboard
Activity landscape representations for structure-activity relationship analysis
J Med Chem.
.
No abstract available
Similar articles
-
Consensus models of activity landscapes with multiple chemical, conformer, and property representations.J Chem Inf Model. 2011 Jun 27;51(6):1259-70. doi: 10.1021/ci200081k. Epub 2011 Jun 9. J Chem Inf Model. 2011. PMID: 21609014
-
Design of a three-dimensional multitarget activity landscape.J Chem Inf Model. 2012 Nov 26;52(11):2876-83. doi: 10.1021/ci300444p. Epub 2012 Nov 7. J Chem Inf Model. 2012. PMID: 23113585
-
Rationalizing three-dimensional activity landscapes and the influence of molecular representations on landscape topology and the formation of activity cliffs.J Chem Inf Model. 2010 Jun 28;50(6):1021-33. doi: 10.1021/ci100091e. J Chem Inf Model. 2010. PMID: 20443603
-
Scanning structure-activity relationships with structure-activity similarity and related maps: from consensus activity cliffs to selectivity switches.J Chem Inf Model. 2012 Oct 22;52(10):2485-93. doi: 10.1021/ci300362x. Epub 2012 Oct 4. J Chem Inf Model. 2012. PMID: 22989212 Review.
-
Cytochromes c': biological models for the S = 3/2, 5/2 spin-state admixture?Chem Rev. 2006 Jun;106(6):2550-79. doi: 10.1021/cr040416l. Chem Rev. 2006. PMID: 16771459 Review. No abstract available.
Cited by
-
Open-source platform to benchmark fingerprints for ligand-based virtual screening.J Cheminform. 2013 May 30;5(1):26. doi: 10.1186/1758-2946-5-26. J Cheminform. 2013. PMID: 23721588 Free PMC article.
-
Design of MMP-1 inhibitors via SAR transfer and experimental validation.Sci Rep. 2022 Dec 3;12(1):20915. doi: 10.1038/s41598-022-25079-4. Sci Rep. 2022. PMID: 36463250 Free PMC article.
-
Advancing the activity cliff concept.F1000Res. 2013 Sep 30;2:199. doi: 10.12688/f1000research.2-199.v1. eCollection 2013. F1000Res. 2013. PMID: 24555097 Free PMC article.
-
Chemical transformations that yield compounds with distinct activity profiles.ACS Med Chem Lett. 2011 Apr 13;2(7):523-7. doi: 10.1021/ml2000609. eCollection 2011 Jul 14. ACS Med Chem Lett. 2011. PMID: 24900343 Free PMC article.
-
An activity canyon characterization of the pharmacological topography.J Cheminform. 2016 Aug 19;8:41. doi: 10.1186/s13321-016-0153-3. eCollection 2016. J Cheminform. 2016. PMID: 27547247 Free PMC article.
MeSH terms
LinkOut - more resources
Full Text Sources
Other Literature Sources
