3DMET Document List


 
Update log

 
Technical Information

    General information
    - Reference to cite
    - Calculation of molecular descriptors
    Information about L-series of entries, newly added for Release 3.0
    - Manual curation
    Information about B-series of structures
    - Definition of natural metabolites of B-series
    - Conversion of from 2D MOL files into 3D files in 3DMET
    - Evaluation of conservation between 2D- and 3D-structures
 
Information about descriptors

 
Algorithms

    Substructure search