Mining the chemical quarry with joint chemical probes: An application of latent semantic structure indexing (LaSSI) and TOPOSIM (dice) to chemical database mining

Journal of Medicinal Chemistry

Volumn 44, Issue 10, 2001, Pages 1564-1575

  Singh, S B ^a   Sheridan, R P ^a   Fluder, E M ^a   Hull, R D ^b  

^a MERCK RESEARCH LABORATORIES   (United States)

^b Elagent Corp   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIPEPTIDYL CARBOXYPEPTIDASE INHIBITOR; DOPAMINE RECEPTOR STIMULATING AGENT; LEUKOTRIENE RECEPTOR BLOCKING AGENT; SEROTONIN UPTAKE INHIBITOR; THROMBIN INHIBITOR;

ARTICLE; DATA BASE; DRUG INFORMATION; DRUG STRUCTURE; INFORMATION PROCESSING; PHARMACOPHORE;

ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; COMBINATORIAL CHEMISTRY TECHNIQUES; DATABASES, FACTUAL; DOPAMINE AGONISTS; DRUG DESIGN; LEUKOTRIENE ANTAGONISTS; SEMANTICS; SEROTONIN UPTAKE INHIBITORS; THROMBIN;

EID: 0035837065     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm000398+     Document Type: Article

References (13)

1. Chemical similarity searching
2. Similarity searching in the development of new bioactive compounds. An application
3. Using a genetic algorithm to suggest combinatorial libraries
4. Molecular evolution: Automated manipulation of hierarchical chemical topology and its application to average molecular structures
5. Stigmata: An algorithm to determine structural commonalities in diverse datasets
6. Latent semantic structure indexing (LaSSI) for defining chemical similarity
7. Chemical similarity searches using latent semantic structure indexing (LaSSI) and comparison to TOPOSIM
8. Indexing by latent semantic analysis
9. Improving retrieval performance by relevance feedback
10. Chemical similarity using physiochemical property descriptors
11. Atom pairs as molecular features in structure-activity studies: Definition and applications
12. Topological torsions: A new molecular descriptor for SAR applications. Comparison with other descriptors