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Supplier
Comment
Accelrys
searching, reactions, synthesis
ACD
molecular drawing and databasing
BioRad
databasing and searching
CAChe Group
structure, spectra prediction
CambridgeSoft
reaction planning, databases
CambridgeSoft
databasing, search, mol drawing
Chemaxon
structure drawing, searching, database, react
ChemInnovation
chemical structural analysis
Daylight Chemical Information Systems
cheminformatics, structure searching, library
DeltaSoft
Searching
Dockvision
docking
Dotmatics
searching and data management
IDBS
activity, structure mgt
InfoMetrix
chemometrics
Leadscope
profiling, search
Metaphorics
docking
Molecular Networks
structure, reaction, search
MolSoft
chem and bio informatics
Schrodinger
drug design, docking
Simulation Plus
structural analysis, searching
Symyx
multiple (includes MDL)
Synaptic Science
searching, databasing
Tripos
searching, reactions, synthesis
Vogel Scientific
reaction assistant


Predictive Modeling, Similarity, Computational Chemistry

Supplier
Comment
Accelrys
QSAR
ACD
NMR spectra prediction
BioRad
NMR spectra prediction
CambridgeSoft
QSAR
CompuDrug
ADME prediction
Comsol
modeling
Conflex
conformational analysis and searching
BioSolveIT
mol similarity
Gaussian
electronic structure
IDBS
QSAR
MIA
3D QSAR
Molecular Discovery
3D QSAR
Molpro
quantum chemistry
Multicase
ADME prediction
OpenEye Scientific Software
mol similarity, visualization
Princeton Simulations
electronic structure
Q-Chem
quantum chemistry
Schrodinger
Pk predictor
SCM
density functional package
Simcyp
PK modeling and prediction
Simulations Plus
ADME prediction
Spectrum Research
NMR spectra prediction
Symyx
ADME prediction
Synaptic Science
computational chem
TerraBase
QSAR, ADMET prediction
Tripos
QSAR

 


Spectra Analysis and Management (general purpose, not sold with an instrument)

Supplier
Comment
Accelrys
NMR visualization and analysis
ACD
MS, UV, IR NMR spectral analysis
Ascanis
UV/Vis software
BioRad
MS, UV, IR NMR spectral analysis
Bruker Biospin
NMR, UV, DAD, MS data processing
CambridgeSoft
cheminformatics, structure search, drawing
Infologic
viewers
Kombyonyx
collision induced dissociation ms
Positive Probability
spectral deconvolution
SignalLab
real time spectral analysis
Spectra Heap
emmission analysis
Spectrum Research
NMR software
Thermo Electron
galatic spectral analysis
Tripos
NMR analysis


Chromatography Data Analysis and Management

Supplier
Comment
Agilent
Workstation and Client/Server
Dionex
Workstation and Client/Server
Justice Innovations
Workstation
PerkinElmer
Workstation and Client/Server
Shimadzu
workstation and Client/Server
Thermo Electron
Workstation and Client/Server
Varian
Workstation and Client/Server
Waters
Workstation and Client/Server


Other

Supplier
Comment
ACD
solubility, bioling pt, pKa, etc.
Akts
DSC, TGA, DTA, EGA, TMA
Chemical Inventory
chemical inventory
Chemsw
Chemical inventory, various
DeltaSoft
Chemical inventory
Eigenvector Research
chemometrics
IDBS
chemical inventory
InfoMetrix
chemometrics
Molecular Knowledge Systems
chemical property estimation
Netzsch
Thermal analysis
Sciquest
Reagent, chemical inventory

Updated January 2, 2008

 
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