Chemical similarity searches using Latent Semantic Structural Indexing (LaSSI) and comparison to TOPOSIM

Journal of Medicinal Chemistry

Volumn 44, Issue 8, 2001, Pages 1185-1191

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

^a MERCK RESEARCH LABORATORIES   (United States)

^b Elagent Corp   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARGATROBAN; CAPTOPRIL; DIAZEPAM; DOPAMINE 2 RECEPTOR STIMULATING AGENT; FENOTEROL; INDINAVIR; ISRAPAFANT; KETOTIFEN; LOSARTAN; MONTELUKAST; MORPHINE; MUSCARINIC M1 RECEPTOR AGONIST; OXYTOCIN ANTAGONIST; PAROXETINE; TAMOXIFEN; YM 954;

ANALYTIC METHOD; ARTICLE; DECOMPOSITION; DRUG SCREENING; DRUG STRUCTURE; STRUCTURE ANALYSIS;

ALGORITHMS; DATABASES, FACTUAL; DRUG DESIGN; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0035848576     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm000392k     Document Type: Article

References (9)

1. Chemical similarity searching
2. Atom pairs as molecular features in structure - Activity studies: Definition and application
3. Topological torsions: A new molecular descriptor for sar applications, comparison with other descriptors
4. Chemical similarity using physiochemical property descriptors
5. Latent Semantic Indexing (LaSSI) for defining chemical similarity
6. Four associated coefficients for relating molecular similarity measures
7. Mining the chemical quarry with joint chemical probes: An application of LaSSI and TOPOSIM to chemical database mining