De novo design and synthetic accessibility
- PMID: 17598076
- DOI: 10.1007/s10822-007-9115-1
De novo design and synthetic accessibility
Similar articles
-
Recent developments in de novo design and scaffold hopping.Curr Opin Drug Discov Devel. 2008 May;11(3):365-74. Curr Opin Drug Discov Devel. 2008. PMID: 18428090 Review.
-
Concept of combinatorial de novo design of drug-like molecules by particle swarm optimization.Chem Biol Drug Des. 2008 Jul;72(1):16-26. doi: 10.1111/j.1747-0285.2008.00672.x. Epub 2008 Jun 13. Chem Biol Drug Des. 2008. PMID: 18564216
-
Tagged fragment method for evolutionary structure-based de novo lead generation and optimization.J Med Chem. 2007 Nov 1;50(22):5392-402. doi: 10.1021/jm070750k. Epub 2007 Oct 6. J Med Chem. 2007. PMID: 17918924
-
The use of ligand-based de novo design for scaffold hopping and sidechain optimization: two case studies.Bioorg Med Chem. 2008 Jan 1;16(1):422-7. doi: 10.1016/j.bmc.2007.09.026. Epub 2007 Sep 18. Bioorg Med Chem. 2008. PMID: 17920281
-
Importance of molecular computer modeling in anticancer drug development.J BUON. 2007 Sep;12 Suppl 1:S101-18. J BUON. 2007. PMID: 17935268 Review.
Cited by
-
Synthetically accessible de novo design using reaction vectors: Application to PARP1 inhibitors.Mol Inform. 2024 Apr;43(4):e202300183. doi: 10.1002/minf.202300183. Epub 2024 Feb 6. Mol Inform. 2024. PMID: 38258328 Free PMC article.
-
RENATE: A Pseudo-retrosynthetic Tool for Synthetically Accessible de novo Design.Mol Inform. 2022 Apr;41(4):e2100207. doi: 10.1002/minf.202100207. Epub 2021 Nov 8. Mol Inform. 2022. PMID: 34750989 Free PMC article.
MeSH terms
Substances
LinkOut - more resources
Full Text Sources