Scaffold Topologies. 2. Analysis of Chemical Databases
- 1 July 2008
- journal article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Modeling
- Vol. 48 (7), 1311-1324
- https://doi.org/10.1021/ci700342h
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Scaffold Topologies. 1. Exhaustive Enumeration up to Eight RingsJournal of Chemical Information and Modeling, 2008
- Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F: Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug DiscoveryJournal of Chemical Information and Modeling, 2007
- Charting biologically relevant chemical space: A structural classification of natural products (SCONP)Proceedings of the National Academy of Sciences, 2005
- HierS: Hierarchical Scaffold Clustering Using Topological Chemical GraphsJournal of Medicinal Chemistry, 2005
- Virtual Exploration of the Small‐Molecule Chemical Universe below 160 DaltonsAngewandte Chemie International Edition, 2005
- Counterexamples in Chemical Ring PerceptionJournal of Chemical Information and Computer Sciences, 2004
- Drug Rings Database with Web Interface. A Tool for Identifying Alternative Chemical Rings in Lead Discovery ProgramsJournal of Medicinal Chemistry, 2003
- Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial ChemistryJournal of Chemical Information and Computer Sciences, 2002
- Chemical space navigation in lead discoveryCurrent Opinion in Chemical Biology, 2002
- The Properties of Known Drugs. 1. Molecular FrameworksJournal of Medicinal Chemistry, 1996