Pbi Gordon Chemical

Nomen project is a tool which creates chemical structures from valid IUPAC names. It outputs a 2D view and (optionally) a CML file..

Jmol is an applet and Java based application designed to display various 3D chemical information. Jmol's features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs....

SketchEl is an interactive chemical molecule sketching tool, and molecular spreadsheet data entry application. The feature set provided by the molecular sketcher is largely limited to the minimum features required to conveniently edit diagram representations of small molecule structures....


Platforms: Windows

The DynaFit application was developed to perform nonlinear least-squares regression of chemical kinetic, enzyme kinetic, or ligand-receptor binding data. The experimental data can be either initial reaction velocities in dependence on the concentration of varied species (e.g., inhibitor...


Platforms: Windows

ChemDoodle is a fully functional chemical drawing application that works on every operating system! In addition to being multiplatform, ChemDoodle also natively reads and writes many common file formats including ChemDraw's CDX and CDXML. You can write ChemDraw files for submitting journal...


Platforms: Windows

ChemDoodle is a fully functional chemical drawing application that works on every operating system! In addition to being multiplatform, ChemDoodle also natively reads and writes many common file formats including ChemDraw's CDX and CDXML. You can write ChemDraw files for submitting journal...


Platforms: Linux

ChemDoodle is a fully functional chemical drawing application that works on every operating system! In addition to being multiplatform, ChemDoodle also natively reads and writes many common file formats including ChemDraw's CDX and CDXML. You can write ChemDraw files for submitting journal...


Platforms: Mac

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

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. * Ready-to-use...


Platforms: Windows, Mac, *nix, C/C++, BSD

The five programs provided solve several process design problems. These examples were originally provided as applications of process design optimization by Edgar, Himmelblau and Lasdon in their excellent book entitled Optimization of Chemical Processes, McGraw-Hill International Edition, 2001....


Platforms: Matlab

We use the SRK equation of state to compute the correction factor due to gas-phase nonideality as a result of the high pressure applied in the ammonia synthesis. We also compute the extent of reaction. Plots of these two quantities versus pressure for temperature equal to 800K are presented. The...


Platforms: Matlab

This code generates the electronic distribution for known chemical elements


Platforms: Matlab

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

The GUI application allows the user to enter the parameters of the Antoine equation and then plot vapour pressure of any chemical component versus temperature.


Platforms: Matlab

This m-file gives the atomic weight of any element or molecular weight of any chemical species.Input:species = (cell array)The species is the 'formula'.Output:Atomic weight of any element or molecular weight of any chemicalspecies.


Platforms: Matlab

Science Laboratory Inventory and Orders Management System: more suitable for school's science laboratories to manage stored items (chemical and equipment) and add a way to order them on-line for science lessons and practical experiments.


Platforms: PHP

* jCompoundMapper provides popular fingerprinting algorithms for chemical graphs such as depth-first search fingerprints, shortest-path fingerprints, extended connectivity fingerprints, autocorrelation fingerprints (e.g. CATS2D), radial fingerprints (e.g. Molprint2D), geometrical Molprint, atom...


Platforms: Mac

The STP ChemicalDemon program displays a histogram of the energy of a demon that exchanges energy and particles with a one-dimensional lattice of particles. The purpose of this simulation is to understand how the demon acts as an ideal thermometer and ideal measurement of the chemical potential....


Platforms: Mac

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: *nix

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.


Platforms: *nix