|
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 |
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. |
|
| BMDP |
SPSS |
varias plataformas |
Análisis estadístico |
|
|
ChemEQL |
Swiss Federal Institute for Environmental Science and Technology, Limnological Research Center |
Mac,Windows, Solaris, Linux. |
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 |
|
|
Chemist |
MicroMath Scientific Software |
Windows |
cálculos del equilibrio químico de la solución |
|
| 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. |
|
|
DivA |
Accelrys |
|
Diverse Information, Visualization and Analysis - to handle that
challenge, giving researchers the tools needed to work with their chemical and
biological data |
|
| EQS4WIN Lite |
Mathtrek Systems |
Windows |
Análisis de equilibrios químicos |
|
| EQS4WIN |
Mathtrek Systems |
Windows 3.x |
Análisis de equilibrios químicos |
|
| JMP |
SAS Institute, Inc. |
Mac, Windows |
Visualización estadística y análisis de
datos |
|
| KaleidaGraph |
Synergy Software |
Mac,
Windos |
Visualización y análisis estadístico de
información |
|
|
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 |
|
|
MOLCAS |
MOLCAS is copyright of Lund University, Sweden |
Linux, OS, windows98/XP, mac OS 10, hp-UX11,AIX 4.3/5, Solaris8,IRIS 6.5, |
|
|
| 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
7 y Vista , 32 y 64 bits OS |
Análisis estadístico |
|
|
Padre (Population
Analysis and Duplicate Removal) |
Ohio Supercomputer Center Computational Chemistry
Archive |
Irix, Linux, Ultrix |
Análisis de resultados de búsquedas conformacionales
y medición de similitudes y diferencias entre moléculas |
|
| Prode Calculator |
Prode |
PC, Mac, Unix |
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 |
SYSTAT 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 |
|
|
TURBOMOLE GMBH |
Prof. Dr. Reinhart Ahlrichs at the University of Karlsruhe and at
the Forschungszentrum Karlsruhe. |
Unix |
|
|
| WATH IF |
The EMBL Sander Group |
Linux, 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. |
|
