Naming Chemical Compounds

chemicalInventory is a chemical intelligent tool for managing chemical inventories.Main features: Find chemicals via substructure or text searches. Manage container and shelf locations, check containers in and out or transfer containers between users.

A Molecular Chemical Viewer using OpenGL and Platform independent provided for the study of Chemicals, including physical, chemical and visual properties.

A Java program to parse chemical names using IUPAC nomenclature. The output can be either a visualisation of the molecule, or in a form for other programs to use (e.g. CML).


Platforms: Windows, Mac, Linux

ChemProV is a tool used by chemical engineering students to solve material balance problems. The project is maintained by Washington State University. For more information on how to install ChemProV, please visit the project's website.


Platforms: Windows, Mac, Linux

The ChemSense Studio software supports the creation and sharing of text, images, graphs, drawings, and storyboard animations of chemical processes. The ChemSense Animator can be run as a separate, stand-alone application. See http://chemsense.sri.com


Platforms: Windows, Mac, Linux

cossak allows browsing and manipulation of CORBA COS Naming and COS Notification Services.


Platforms: Windows, Mac, Linux

DRCS (Dimensionless Reaction Coordinate Software) calculates a dimensionless reaction coordinate for chemical reactions that can be used to classify transition states (and other geometries along a reaction path) as either early or late.


Platforms: Windows, Mac, Linux

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

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

JBioFramework (JBF) is a set of simulations of three different chemical separations applications (ion exchange chromatography, 1D electrophoresis and 2D electrophoresis) that are frequently used in chemistry, biochemistry and proteomics research.


Platforms: Windows, Mac, Linux

jLips is a lightweight Java persistence container that implements database persistence through Java interfaces through a defined field naming scheme. Can be used with any JDBC database. jLips has a very small footprint and a simple interface.


Platforms: Windows, Mac, Linux

Java Native Interface wrapper for the IUPAC International Chemical Identifier (InChI)


Platforms: Windows, Mac, Linux

jVisualizer is a graphical tool to visualize and analyse first-order coppling patterns found in NMR-spectroscopy; additional you can type in chemical shifts from an experiment to calculate coupling constants


Platforms: Windows, Mac, Linux

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

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

MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.


Platforms: Windows, Mac, BSD, Solaris, Linux

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

Given the chemical formula, MolWgt calculates the molecular weight of a substance.


Platforms: Mac, BSD, Linux

Perl tools for keeping an LDAP directory service in sync with NIS or any other text based naming service.


Platforms: Windows, Mac, Linux

NMRShiftDB is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance data.


Platforms: Windows, Mac, Linux