Chemical Similarity Searches Using Latent Semantic Structural Indexing (LaSSI) and Comparison to TOPOSIM

Similarity searches based on chemical descriptors have proven extremely useful in aiding large-scale drug screening. Here we present results of similarity searching using Latent Semantic Structure Indexing (LaSSI). LaSSI uses a singular value decomposition on chemical descriptors to project molecule...

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Veröffentlicht in:	Journal of medicinal chemistry 2001-04, Vol.44 (8), p.1185-1191
Hauptverfasser:	Hull, Richard D, Fluder, Eugene M, Singh, Suresh B, Nachbar, Robert B, Kearsley, Simon K, Sheridan, Robert P
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Biological and medical sciences Databases, Factual Drug Design General pharmacology Medical sciences Models, Molecular Molecular Structure Pharmaceutical Preparations - chemistry Pharmacology. Drug treatments Physicochemical properties. Structure-activity relationships Quantitative Structure-Activity Relationship
Online-Zugang:	Volltext
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