Misplaced Pages

#686313

33-484: There are several file formats in the family. The formats were created by MDL Information Systems (MDL), which was acquired by Symyx Technologies then merged with Accelrys Corp., and now called BIOVIA, a subsidiary of Dassault Systemes of Dassault Group . The CT file is an open format . BIOVIA publishes its specification. BIOVIA requires users to register to download the CT file format specifications. An MDL Molfile

66-468: A colleague of Marson, and #4 was Jim Dill, a graduate student from Princeton, as was #5, Doug Hounshell, also a graduate of Princeton. MDL was the first company to provide an interactive graphical registry and full and substructural retrieval. The company's initial products were first-of-their-kind systems for storing and retrieving molecules as graphical structures and for managing databases of chemical reactions and related data. These systems revolutionized

99-400: A file timestamp) (1 line for each atom): x, y, z (in angstroms ), element, etc. (1 line for each bond): 1st atom, 2nd atom, type, etc. (NOTE: some programs don't like a blank line before M END) 0 = not chiral additional properties The Bond Block is made up of bond lines, one line per bond, with the following format: 111 222 ttt sss xxx rrr ccc where the values are described in

132-451: A hard-carriage-return character be inserted if a single line of any text field exceeds 200 characters. This requirement is frequently violated in practice, as many SMILES and InChI strings exceed that length. There are other, less commonly used formats of the family: MDL Information Systems MDL Information Systems , Inc. was a provider of R&D informatics products for the life sciences and chemicals industries. The company

165-594: A joint effort to build a European sovereign cloud service for the financial, health and public sectors that would rely on the infrastructure of 3DS Outscale. In 2022, the company named Philippine de T'Serclaes as its chief sustainability officer. Dassault Systèmes' currently supported roster of brands and industries served (as of May 2024 ): Dassault Systèmes has 23,811 employees across 194 global offices: 39% are based in Europe; 33% in Asia-Oceania; and 28% in

198-484: Is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information. The molfile is sufficiently common that most, if not all, cheminformatics software systems/applications are able to read

231-450: Is intended especially for structural information. "SDF" stands for structure-data format, and SDF files actually wrap the molfile ( MDL Molfile ) format. Multiple records are delimited by lines consisting of four dollar signs ($ $ $ $ ). A key feature of this format is its ability to include associated data. Associated data items are denoted as follows: Multiple-line data items are also supported. The MDL SDF-format specification requires that

264-469: Is required, and must be first. It specifies the number of atoms, bonds, 3D objects, and Sgroups. It also specifies whether or not the CHIRAL flag is set. Optionally, the counts line can specify molregno. This is only used when the regno exceeds 999999 (the limit of the format in the molfile header line). The format of the counts line is: SDF is one of a family of chemical-data file formats developed by MDL; it

297-734: The Falcon 2000 business jet, and the Rafale jet fighter were designed using CATIA. Dassault Systèmes launched an initial public offering (IPO) on both the Paris Bourse and Nasdaq in 1996. Following its success, the next year, the company acquired SolidWorks and Deneb Robotics, which later became part of the DELMIA brand, and additional software to build toward product lifecycle management (PLM). The SolidWorks acquisition strengthened Dassault Systèmes' 2D drafting capacity and provided entry into

330-519: The Microsoft market, while other acquisitions added digital manufacturing software to the product lineup. These acquisitions paved the way for Dassault Systèmes to introduce a total manufacturing system with their subsidiary brand, DELMIA, in 1998. The new offering enabled access to data across the spectrum of manufacturing processes, while remaining independent of the CAD environment. By the end of 1998,

363-564: The Microsoft Windows environment. As the demand for digital and virtual experiences increased in 2000, Dassault Systèmes launched DELMIA, which provides digital manufacturing tools for virtual planning, simulating, and modeling of production processes. The mid-2000s heralded a series of acquisitions for Dassault Systèmes to improve their product offerings and expand their market reach, and Dassault Systèmes launched new software and tools. In 2005, Dassault Systèmes sought to improve

SECTION 10

#1732765872687

396-601: The Americas. Geographic headquarters are located in Paris ( Vélizy-Villacoublay , France ), Shanghai, and Boston ( Waltham, Massachusetts ). As of December 31, 2023, approximately 41% of employees worked in R&;D. In recent years, Dassault Systèmes has been named Forbes' World's Most Innovative Companies, Corporate Knights' World's Most Sustainable Corporations, Forbes' World's Best Employers and Fortune's Future 50 companies with

429-628: The CAD software industry vendors were devising strategies to become internet-enabled. The main focus was to enable the viewing of 3D models in web browsers and build interfaces to product data management (PDM) systems. Dassault Systèmes was one of the leaders in enabling these functions for its users. The company benefited from their experience integrating CAD software across networks for the Boeing 777 project, and had already made moves toward internet-enabled CAD software in 1996 with CATIA Conferencing Groupware; which enabled review and annotation of models using

462-525: The CATIA CAD software. In the 1990s, Dassault Systèmes' software was used to develop seven out of every ten new airplanes and four out of every ten new cars worldwide. Major players in the aviation and automotive industries, including Honda , Mercedes-Benz , BMW and Boeing , were able to design and mock-up their products in CATIA rather than using CAD programs and physical prototypes. The Boeing 777 ,

495-803: The Patent Chemistry Database, xPharm and PharmaPendium — were retained by Elsevier and integrated within Elsevier's Science & Technology operations. The August 2007 press release announcing Symyx Technologies' acquisition of MDL indicates that combining Symyx and MDL offerings creates an expanded set of software solutions and services to enhance R&D productivity in the life sciences, chemicals and energy industries. The press release states: "With this solution set, Symyx will be able to accelerate its customers' move toward paperless labs by integrating content, collaborative desktops, automation and information management for users, workgroups and

528-421: The acquisition of MatrixOne, which would be linked with ENOVIA. In 2007, subsidiary brand 3DVIA was launched to create a social network and content community for 3D artists and modelers. As the 2000s progressed, Dassault Systèmes began to enter online applications and build toward more online applications for product data management, collaboration, realistic simulation and more. Examples of this strategy include

561-421: The aerospace industry's search for more sophisticated drafting tools to streamline the development process and aid in the increasing complexity of aviation design. Dassault Systèmes spun out in 1981 (as part of Dassault Group ) to develop and market their 3D surface design software CATI, later renamed CATIA . That same year, Dassault Systèmes signed a sales and marketing agreement with IBM , allowing IBM to resell

594-540: The body of the connection table (Ctab). The following figure shows both an alanine structure and the extended molfile corresponding to it. Note that the “no structure” is flagged with the “V3000” instead of the “V2000” version stamp. There are two other changes to the header in addition to the version: Unlike the V2000 molfile, the V3000 extended Rgroup molfile has the same header format as a non-Rgroup molfile. A counts line

627-443: The company calls virtual twin experiences and are powered by the 3DEXPERIENCE platform. Virtual twins help companies visualize, model and simulate an entire environment to explore how a product or process will behave when assembled, operated or subjected to a range of events. To expand their capabilities and industries served through the 3DEXPERIENCE platform, Dassault Systèmes completed additional acquisitions, including: Throughout

660-565: The company was publicly offered as MDL Information Systems, Inc. (MDLI) on the NASDAQ stock exchange. In 1997, the company was purchased by Reed Elsevier , the Anglo-Dutch publisher and information provider, becoming a wholly owned subsidiary of Elsevier , a publisher of scientific, technical and medical information. In February 2006, Elsevier MDL moved its corporate headquarters from San Leandro to San Ramon, CA. In October 2007, Elsevier MDL

693-474: The decade, Dassault Systèmes advanced into the life sciences and healthcare industry, including launching the Living Heart Project for simulating heart function in 2014 and acquiring subsidiary brand MEDIDATA for managing clinical trials, in 2019. In 2020, Dassault Systèmes expanded its focus from “Things to Life” by applying what they have learned over the past four decades and applying it to

SECTION 20

#1732765872687

726-542: The enterprise." Dassault Systemes Dassault Systèmes SE ( French pronunciation: [daso sistɛm] ) (abbreviated 3DS ) is a French multinational software corporation which develops software for 3D product design, simulation, manufacturing and other 3D related products. Founded in 1981, it is headquartered in Vélizy-Villacoublay , France, and has 23,811 employees across 194 global offices. Dassault Systèmes (also known as 3DS) grew out of

759-423: The following table: 0 = not stereo; 1= up; 4=either, 6= down For double bonds: 0= Use x-, y-, z-coords from atom block to determine cis or trans; 3=Cis or trans (either) double bond 12 = 4+8 (both made/broken and changes); 5 = (4 + 1), 9 = (8 + 1), and 13 = (12 + 1) are also possible The extended (V3000) molfile consists of a regular molfile “no structure” followed by a single molfile appendix that contains

792-401: The format, though not always to the same degree. It is also supported by some computational software such as Mathematica . The current de facto standard version is molfile V2000, although, more recently, the V3000 format has been circulating widely enough to present a potential compatibility issue for those applications that are not yet V3000-capable. (3 lines) (Name of source program and

825-529: The human body. By developing a virtual twin experience of the human body, they can model, search, test and treat a human body as precisely, safely and effectively as cars, buildings or airplanes and customize the care of each individual. To expand the capabilities served through the 3DEXPERIENCE platform, Dassault Systèmes completed additional acquisitions, including: In late 2022, Dassault Systèmes, along with French companies Docaposte, Bouygues Telecom and Banque des Territoires, announced plans to create Numspot,

858-405: The internet. The introduction of ENOVIA further marked their industry-leading place by providing internet-enabled PDM and 3D product lifecycle management. Dassault Systèmes' acquisitions continued into 1999, when two CAD software vendors were purchased: Matra Datavision and Smart Solutions. Also in 1999, Dassault Systèmes released CATIA Version 5, which was the first version to be fully implemented in

891-629: The purchase or launch of brands such as EXALEAD for information intelligence, NETVIBES for business analytics, 3DEXCITE for marketing, and GEOVIA for modeling the planet. In 2012, the company launched the 3DEXPERIENCE platform to connect its software applications. CATIA under the 3DEXPERIENCE platform enables users to go beyond physical product definition to model any product in the context of its real-life behavior. Systems, architects, engineers, designers and all contributors collaborate on fit, form, function, and customer experience. Dassault Systèmes also began to offer its version of digital twins , which

924-421: The quality of 3D interactions and simulations. First they acquired Abaqus, a US-based company specializing in software that allows engineers to simulate and observe the performance of components in products. Then they acquired Virtools, software that enables companies to create 3D applications. The following year, the company extended its market reach into high-tech, consumer products, and medical devices through

957-495: The strongest long-term growth potential. They have also been included in the Dow Jones Sustainability Indices , have received an MSCI ESG "AAA" rating and received a "Platinum Medal" rating from EcoVadis based on an assessment of environment, labor and human rights issues, and ethics and sustainable procurement criteria. The list below sets forth the company's main subsidiaries and also indicates

990-519: The way scientists accessed and managed chemical information in the 1980s. From its initial pioneering of computer handling of graphical chemical structures with MACCS (Molecular ACCess System) in 1979, MDL continued at the forefront of the field now known as cheminformatics . In 1985, MDL moved its corporate headquarters from Hayward to a larger campus in San Leandro, CA. In 1987, MDL was purchased by Maxwell Communications Corporation . In 1993,

1023-509: Was acquired by Symyx Technologies, Inc. , an R&D productivity company offering software, modular workflow tools and research services to global enterprises in the life sciences, chemicals, energy and consumer products industries. MDL was merged with Symyx Software, and the new combined organization is based in San Ramon, CA. The infrastructure-related software applications and databases of MDL, including CrossFire Beilstein, CrossFire Gmelin,

Chemical table file - Misplaced Pages Continue

1056-472: Was founded by Stuart Marson and W. Todd Wipke in 1978. With 15 years of research on computer synthesis at the University of California, Santa Cruz, Wipke, with Marson, fresh from a Ph.D. at Stanford University and a postdoctoral stint at the University of California, Berkeley, were convinced that computer-assisted molecular design was possible as a commercial enterprise. Employee #3 was Stephen Peacock,

1089-551: Was launched as a computer-aided drug design firm (originally named Molecular Design Limited, Inc.) in January 1978 in Hayward, California. The company was acquired by Symyx Technologies , Inc. in 2007. Subsequently Accelrys merged with Symyx. The Accelrys name was retained for the combined company. In 2014 Accelrys was acquired by Dassault Systemes . The Accelrys business unit was renamed BIOVIA . Molecular Design Limited, Inc.

#686313