|
|---|
| Nombre del programa |
Distribuidor |
Plataforma de uso |
Funciones del
programa | 
|
| ACD/BoilingPoint |
Advanced Chemistry Development, Inc. |
Windows |
Predicción de puntos de ebullición. | 
|
| ACD/LogP V 1.0 |
Advanced Chemistry Development, Inc. |
Windows |
Calcula logP, rangos de pKa, emula tiempos de
retención en columnas RP HPLC y permite la estimación de transporte, toxicidad y
otras propiedades que correlacionan con logP. |
|
| ASC: The Analytic Surface Calculation Package for Molecular Systems |
EMBL Argos Group |
Most Unix platforms (including IRIX, ULTRIX, SunOS, AIX) |
A collection of tools for surface and volume calculation. |  |
| BMDP Classic for DOS |
SPSS |
DOS |
Análisis estadístico |
|
| ChemEQL |
Swiss Federal Institute for Environmental Science and Technology, Limnological Research Center |
Mac |
A Program to Calculate Chemical Speciation, Titrations, Dissolution, Precipitation, Adsorption, Simple Kinetics, pX-pY Diagrams. Includes two Libraries & Graphical Representation |
|
| ChemKin |
A registered trademark of Sandia National Laboratories, Reaction Design |
HP, SGI, and Sun. Soon NT also. The library is distributed as object files for the specific platform, along with sample Fortran drivers. |
Software application for modeling of chemical kinetics, and transport effects in a gas, or at a gas/solid-surface interface |
|
| CLIP |
Institute of Medicinal Chemistry of the University of Lausanne |
SGI R4000 |
Computed Lipophilicity Properties: Computation and representation of the Molecular Lipophilicity Potential (MLP) on the solvent-accessible surface of molecules and macromolecules; Calculation of n-octanol/water partition coefficients (log Poct) from the MLP on the solvent-accessible surface. |
|
| EQS4WIN Lite |
Mathtrek Systems |
Windows 3.x |
Análisis de equilibrios químicos | 
|
| EQS4WIN |
Mathtrek Systems |
Windows 3.x |
Análisis de equilibrios químicos |
|
| Equil |
MicroMath Scientific Software |
DOS |
Solución de problemas de equilibrios químicos
acuosos |
|
| JMP |
SAS Institute, Inc. |
Mac, Windows |
Visualización estadística y análisis de
datos |
|
| KaleidaGraph |
Synergy Software |
Mac |
Visualización y análisis estadístico de
información |
|
| LIBCOM |
AM Technologies, Inc. |
UNIX |
Software pra química combinatoria |
|
| LogKow |
Environmental Science Center |
Windows |
The LogKow program estimates the log octanol/water partition coefficient (log P) of organic chemicals using an atom/fragment contribution method developed at SRC. |
|
| Merlin/MCL |
University of Ioannina, Greece |
UNIX, Linux |
Software para hacer minimizaciones multidimencionales |
|
| MMCalc |
MicroMath Scientific Software |
Mac |
Análisis estadístico |
|
| MultiSimplex |
Multisimplex KB |
Windows |
Optimizes technical systems. Application in analytical chemistry, pharmaceutical research, chemical and process industry. |
|
| NSC |
European Molecular Biology Laboratory |
A piece of surface code written in C. |
NSC is a "numerical recipe" for calculating surface, volume, and/or surface dots. |
|
| NCSS |
NCSS Statistical Software |
Windows 3.1, 95 y NT |
Análisis estadístico |
|
| Padre (Population
Analysis and Duplicate Removal) |
Ohio Supercomputer Center Com
| Interfase gráfica y base de datos de mas de 1000
estructuras químicas |
|
| Scientist |
MicroMath Scientific Software |
Windows/DOS |
Solución de sistemas de ecuaciones y ajuste de datos
experimentales |
|
| SigmaPlot |
Jandel Scientific Software |
Windows |
Visualización y análisis de datos |
|
| Steric |
University of Witwatersrand |
Linux, IRIX 5.2, DOS/32 y código fuente en
fortran |
Cálculo de parámetros estéricos
moleculares |
|
| WATH IF |
The EMBL Sander Group |
UNIX |
Modelado macromolecular: análisis de estructura protéica que puede ser usado para predecir mutaciones, verificación de estructura, gráficas moleculares, etc. |
|
| WSKow |
Environmental Science Center |
Windows |
The WSKow program estimates the water solubility from chemical structure and a compound's octanol/water partition coefficient, melting point (if the compound is a solid), the molecular weight, and substructure correction factors. |
|