2DCOOR
coordinates generator for publishing quality 2D depictions
ADRIANAcombination of the two packages
ADRIANA.Code
and
SONNIA to provide algorithms for the search, identification and
optimization of hits and lead structures
ADRIANA.Code calculation of molecular descriptors
encoding physicochemical, topolocical, geometrical and surface
properties
BioPath database on biochemical pathways derived from the Roche
Applied Science "Biochemical Pathways" wall chart
C@ROL data warehousing for 2D structures, multiple 3D conformations,
and experimental information
CHECK
structure integrity check and normalization of chemical state
CONVERT
inter-conversion of 40 different chemical file formatsCORINA3D
structure generation
CORINA_F CORINA interfaced to FlexX docking program
FM3D
3D visualization of molecules
IMAGE
conversion of chemical files into images
isoCYP prediction of the predominant isoform of human cytochrome
P450 substrates
PAGE conversion of chemical files into formatted documents
ROTATE generation of ensemble of conformations
SONNIA self-organizing neural network package
SPLIT/JOIN
&MERGE package for splitting a chemical file including n
structuers into n files, joining n structure files to one
single file or merging structure and data files into a single file
STERGEN
enumeration of stereoisomers |