Chemical Bonding Webquest
A Molecular Chemical Viewer using OpenGL and Platform independent provided for the study of Chemicals, including physical, chemical and visual properties.
Platforms: Windows, Mac, BSD, Linux
License: Freeware | Size: 8.69 KB | Download (45): ChemMap Download |
EasyChem is designed to draw chemical molecules in an intuitive way, with a very high quality (designed for book-publishing). Exporting is done to various formats (PostScript, Fig, LaTeX, etc.) to help you integrate your drawing in any software you use.
Platforms: Windows, Mac, BSD, Linux
License: Freeware | Size: 259.24 KB | Download (45): EasyChem Download |
A high-performance simulation package for sampling the chemical and reaction-diffusion master equations. Primarily intended for running stochastic simulations of microbial cells.
Platforms: Mac, Linux
License: Freeware | Size: 1.85 MB | Download (45): Lattice Microbes Download |
MCDL is a small Java molecular viewer/editor for chemical structures, stored in Modular Chemical Descriptor Language linear notation. Features include accurate structure diagram generation, and Kekule chemical structure creation from aromatic bond list.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 260.54 KB | Download (45): MCDL Download |
This project going to develop a thermodinamical server for chemical simulation, equip design, scientific module for other aplication or chemical education. Also the thermo server is developed to complete the project of chemical simulation Sim42.Spanish
Platforms: Windows, Mac, Linux
License: Freeware | Size: 3.23 MB | Download (45): OllinTS Download |
The program determines the constants Rmax and Km of the Michaelis-Menten model using data given in Fundamentals of Chemical Reaction Engineering by M. E. Davis & R. J. Davis, McGraw Hill, 2003. This data represents the substrate (catechol) concentration versus time. This data was obtained using...
Platforms: Matlab
License: Freeware | Size: 20.48 KB | Download (45): Nonlinear Fit of Michaelis-Menten model Download |
AMBIT offers chemoinformatics functionality via REST web services and desktop applications. Chemical compounds and data storage in MySQL database; substructure, similarity and other queries, descriptor calculation and predictive models building.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 50 MB | Download (44): Ambit - chemical structures database Download |
Java Native Interface wrapper for the IUPAC International Chemical Identifier (InChI)
Platforms: Windows, Mac, Linux
License: Freeware | Size: 3.55 MB | Download (44): JNI-InChI Download |
Given the chemical formula, MolWgt calculates the molecular weight of a substance.
Platforms: Mac, BSD, Linux
License: Freeware | Size: 2.47 KB | Download (44): MolWgt Download |
ReactionLab is a software package aimed for a unified computer environment to kinetic modeling of chemical reaction systems. The present implementation is founded on Matlab and Java-Swing GUI, with an interface to legacy C (and Fortran) codes.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 2.75 MB | Download (44): ReactionLab Download |
A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules:
-Cramer rules (oral toxicity)
-Toxicity mode of action via Verhaar scheme
-Skin irritation prediction
-Eye irritation prediction
-Benigni / Bossa...
Platforms: Windows, Mac, Linux
License: Freeware | Size: 55.38 MB | Download (44): Toxic Hazard Estimation Download |
The control of both bottom and distillate compositions is achieved by using conventional two point feedback control (WoodandBerry1) and non-interacting control (WoodandBerry2). Because of coupling, conventional control has a poorer performance when compared to the non interacting control system....
Platforms: Matlab
License: Freeware | Size: 20.48 KB | Download (44): Control of the Wood and Berry Distillation Column Using Simulink Download |
It is desired for modern process systems to achieve optimal operation. However, operation at a pre-designed nominally optimal point may not necessarily be actually optimal due to realtime disturbances, measurement and control errors and uncertainties. Self-optimizing control aims to tackle this...
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (44): Bidirectional Branch and Bound Solvers for Worst Case Loss Minimization Download |
A reaction object contains parameters that describe a chemical reaction scheme in terms of reagents, reaction steps, rate constants and equilibrium constants. The reaction can be evaluated to provide concentrations of species as a function of time and starting concentration. The reaction can also...
Platforms: Matlab
License: Freeware | Size: 30.72 KB | Download (44): Reaction Object Download |
The development and curation of a range of XML-based tools
for using Chemical Markup Language (CML), including
XSD XML Schemas for validation, datatyping and constraining CML
documents and XSLT Stylesheets for transforming, filtering and rendering.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 1.78 MB | Download (43): Chemical Markup Language Download |
The program allows one to choose the best reactor setup among three alternatives: (1) a plug flow reactor with recycle, (2) a combination of a plug flow reactor and a stirred tank reactor in series and (3) two stirred tank reactors in series. This problem was solved graphically by O. Levenspiel...
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (43): Selection of Optimum Chemical Reactor Design Download |
iso2l (ˈaisəutuːl, spoken isotool) is a software to calculate the isotopic distribution of a chemical formula or a amino acid chain.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 59.54 KB | Download (43): iso2l Download |
MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.
Platforms: Windows, Mac, BSD, Solaris, Linux
License: Freeware | Size: 577.09 KB | Download (43): MesoRD Download |
Metmask is a tool written in python for managing chemical identifiers for metabolomics experiments. It can incorporate identifiers from local textfiles, several online databases, query PubChem and record all found associations in a local sqlite database.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 4.26 MB | Download (43): metmask Download |
The purpose of this program is to simulate the permeation time lag in a polymer hollow fiber membrane with a dual mode sorption isotherm and the partially immobilized diffusion model.The program plot the 3D time lag with two models:1) concentration gradient as the driving force for diffusion2)...
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (43): Permeation timelag in polymer hollow fiber membrane Download |