Feature Trees: Theory and Applications from Large-Scale Virtual Screening to Data Analysis

Pharmacophores and Pharmacophore Searches

Volumn , Issue , 2006, Pages 81-116

  Rarey, Matthias ^a   Hindle, Sally ^b   Maaß, Patrick ^a   Metz, Günther ^c   Rummey, Christian ^c   Zimmermann, Marc ^d  

^a UNIVERSITY OF HAMBURG   (Germany)

^b BioSolveIT GmbH   (Germany)

^c Santhera Pharmaceuticals   (Germany)

^d FRAUNHOFER INSTITUTE FOR ALGORITHMS AND SCIENTIFIC COMPUTING SCAI   (Germany)

Author keywords

Combinatorial fragment spaces; Data analysis; Feature tree mappings; Feature trees; Large scale virtual screening; Linear to non linear molecular descriptors; Multiple feature tree models; Pairwise comparison of feature trees; Pharmacophore approaches; Pharmacophores; Similarity searching; Theory and applications; Virtual screening

Indexed keywords

DATA HANDLING; DATA REDUCTION; FORESTRY; INFORMATION ANALYSIS; PHARMACODYNAMICS;

COMBINATORIAL FRAGMENT SPACES; FEATURE TREE; MOLECULAR DESCRIPTORS; MULTIPLE FEATURES; PHARMACOPHORES; SIMILARITY SEARCHING; VIRTUAL SCREENING;

TREES (MATHEMATICS);

EID: 34547704655     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/3527609164.ch4     Document Type: Chapter

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