Structure Modification in Chemical Databases
2005; Wiley; Linguagem: Inglês
10.1002/3527603743.ch11
ISSN1865-0562
AutoresPeter W. Kenny, Jens Sadowski,
Tópico(s)Metabolomics and Mass Spectrometry Studies
ResumoThis chapter contains sections titled: Introduction Permute Protonation and Formal Charges Tautomerism Nitrogen Configurations Duplicate Removal Nested Loop Application Statistics Impact on Docking Leatherface Protonation and Formal Charges Tautomerism Ionization and Tautomer Model Relationships between Structures Substructural Searching and Analysis Concluding Remarks
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