Overview of software products offered
by Molecular Networks:
Dealing with Structures
Warehousing Structures and Data C@ROL
is a chemical warehouse system storing chemical
compounds and their physical, chemical, or biological data BioPath.Explore
is a web-based retrieval system for searching the BioPath database
Generating 3D Coordinates CORINA
generates 3-dimensional molecular models CORINA_F
is a feature-restricted version of CORINA for FlexX
Controlling Structural State & Integrity CHECK
performs structure validation and normalization
of molecular structures
Enumerating Stereoisomers & Tautomers STERGEN
enumerates all possible combinations of stereoisomers TAUTOMER
enumerates all tautomeric forms
Exploring Conformational Space ROTATE
automatically generates biologically relevant conformational ensembles
Visualizing Structures FM3D
is a Unix/Linux-based desktop application for the
visualization of 3D molecular models
Dealing with Properties and Models
Computing Descriptors ADRIANA.Code
computes a series of molecular descriptors
Predicting Properties isoCYP
prediction of the predominant isoform of human cytochrome P450 substrates SYLVIA
estimation of the synthetic accessibility of organic compounds
Analyzing and Modeling Data ADRIANA
combines algorithms for the search, identification, and optimization of hits and lead structures SONNIA
is a self-organizing neural network package
Dealing
with Reactions
Warehousing Reactions C@ROL
is a warehousing system for the storage of chemical reactions BioPath.Explore
is a web-based retrieval system for searching the BioPath database
Designing Synthesis SYLVIA
estimation of the synthetic accessibility of organic
compounds WODCA
provides synthesis design solutions for organic
compounds
Handling
Chemical Files
Converting and Manipulating Files CONVERT
enables the seamless inter-conversion of 40 different
structure and reaction file formats TABLE
converts files containing structures and data into
spreadsheet SPLIT
splits a file including n structures JOIN
concatenates a series of files into one single file MERGE
builds an SDFile by combining separated structure
files and data files
Drawing and Printing IMAGE
is designed to convert structure files into raster
or vector images PAGE
converts chemical files into formatted documents
