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IUCLID (/ ˈ juː k l ɪ d /; International Uniform Chemical Information Database) is a software application to capture, store, maintain and exchange data on intrinsic and hazard properties of chemical substances. Distributed free of charge, the software is especially useful to chemical industry companies and to government authorities.
Euclid is a CAD software which has been developed since 1970. Initially written by Jean Marc Brun and Michel Théron at Laboratoire d'informatique pour la mécanique et les sciences de l'ingénieur (LIMSI) for modelling fluid flow, they founded their own company, Datavision in 1979, and then sold a controlling interest in 1980 to the French company Matra Datavision.
1996: Matra Datavision released Euclid Quantum, a new generation of Euclid. 1998: Matra Datavision changed its strategy and became a software service provider. That year, the company signed an agreement with Dassault Systèmes to acquire some products from the Quantum product line, including Euclid Styler, Euclid Machinist, Strim, and more.
This is a list of software used to simulate the material and energy balances of chemical process plants. Applications for this include design studies, engineering studies, design audits, debottlenecking studies, control system check-out, process simulation, dynamic simulation, operator training simulators, pipeline management systems, production management systems, digital twins.
DWSIM is an open-source CAPE-OPEN compliant chemical process simulator for Windows, Linux and macOS.DWSIM is built on top of the Microsoft .NET and Mono Platforms and features a graphical user interface (GUI), advanced thermodynamics calculations, reactions support and petroleum characterization / hypothetical component generation tools.
Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
The invariance properties of molecular descriptors can be defined as the ability of the algorithm for their calculation to give a descriptor value that is independent of the particular characteristics of the molecular representation, such as atom numbering or labeling, spatial reference frame, molecular conformations, etc. Invariance to molecular numbering or labeling is assumed as a minimal ...
Gaussian / ˈ ɡ aʊ s i ə n / is a general purpose computational chemistry software package initially released in 1970 by John Pople [1] [2] and his research group at Carnegie Mellon University as Gaussian 70. [3] It has been continuously updated since then. [4]