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ChemDraw
ChemDraw is a molecule editor first developed in 1985 by David A. Evans and Stewart Rubenstein (later by the cheminformatics company CambridgeSoft). The company was sold to PerkinElmer in the year 2011. ChemDraw, along with Chem3D and ChemFinder, is part of the ChemOffice suite of programs and is available for Macintosh and Microsoft Windows. Features of ChemDraw 12.0 * Chemical structure to name conversion * Chemical name to structure conversion * NMR spectrum simulation (1H and 13C) * Mass spectrum simulation * Structure cleanup * Draw ligand Structure * An extensive collection of templates, including style templates for most major chemical journals. * Export to SVG * Export to PDF (Mac Version only) File format The native file formats for ChemDraw are the binary CDX and the preferred XML-based CDXML formats. ChemDraw can also import from, and export to, MOL, SDF, and SKC chemical file formats. Plugins SDK for ChemDraw enables third-party developers to write plugins. Fo ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
CDX Format
CDX (ChemDraw Exchange) is a binary file type created by CambridgeSoft Corporation's ChemDraw chemical structure application. CDXML is the XML and preferred version of this format. CDX is the native file format used by ChemDraw ChemDraw is a molecule editor first developed in 1985 by David A. Evans and Stewart Rubenstein (later by the cheminformatics company CambridgeSoft). The company was sold to PerkinElmer in the year 2011. ChemDraw, along with Chem3D and ChemFinde ... to store molecular data, such as atoms, bonds, fragments, arrows and text in a tagged binary format, accurately. The CDX file format is used across Windows, Mac and Linux distributions. References External links CDX File Format Documentation of File Specification Chemical file formats {{compu-stub ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
CDXML
CDXML is the XML analogue of the binary CDX file type used by CambridgeSoft Corporation's ChemDraw ChemDraw is a molecule editor first developed in 1985 by David A. Evans and Stewart Rubenstein (later by the cheminformatics company CambridgeSoft). The company was sold to PerkinElmer in the year 2011. ChemDraw, along with Chem3D and ChemFinde ... chemical structure application. It is considered to be the preferred format for future development. External links Documentation of File Specification Chemical file formats ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecule Editor
A molecule editor is a computer program for creating and modifying representations of chemical structures. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, via 2D computer graphics or 3D computer graphics, respectively. Two-dimensional output is used as illustrations or to query chemical databases. Three-dimensional output is used to build molecular models, usually as part of molecular modelling software packages. Database molecular editors such as Leatherface, RECAP, and Molecule Slicer allow large numbers of molecules to be modified automatically according to rules such as 'deprotonate carboxylic acids' or 'break exocyclic bonds' that can be specified by a user. Molecule editors typically support reading and writing at least one file format or line notation. Examples of each include Molfile and simplified molecular input line entry specification (SMILES), respectively. Files generated by ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecule Editor
A molecule editor is a computer program for creating and modifying representations of chemical structures. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, via 2D computer graphics or 3D computer graphics, respectively. Two-dimensional output is used as illustrations or to query chemical databases. Three-dimensional output is used to build molecular models, usually as part of molecular modelling software packages. Database molecular editors such as Leatherface, RECAP, and Molecule Slicer allow large numbers of molecules to be modified automatically according to rules such as 'deprotonate carboxylic acids' or 'break exocyclic bonds' that can be specified by a user. Molecule editors typically support reading and writing at least one file format or line notation. Examples of each include Molfile and simplified molecular input line entry specification (SMILES), respectively. Files generated by ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
ISIS/Draw
ISIS/Draw was a chemical structure drawing program developed by MDL Information Systems. It introduced a number of file formats for the storage of chemical information that have become industry standards. History Molecular Design Limited (MDL) was founded by Stuart Marson and W. Todd Wipke in 1978, following the latter's experience with E. J. Corey in developing software for planning organic syntheses. The company developed software to store and search chemical structures in large databases under the brand name MACCS (Molecular ACCess System), which was targeted at pharmaceutical and agrochemical companies. MDL offered their ISIS (Integrated Scientific Information System) products including ISIS/Draw as components of the MACCS system, specifically to allow chemists to use a graphical interface to register new compounds into corporate databases and to search these databases by structure or part-structure. They also introduced ISIS/Base, a chemical database program suited to the sto ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
MacOS
macOS (; previously OS X and originally Mac OS X) is a Unix operating system developed and marketed by Apple Inc. since 2001. It is the primary operating system for Apple's Mac computers. Within the market of desktop and laptop computers it is the second most widely used desktop OS, after Microsoft Windows and ahead of ChromeOS. macOS succeeded the classic Mac OS, a Mac operating system with nine releases from 1984 to 1999. During this time, Apple cofounder Steve Jobs had left Apple and started another company, NeXT, developing the NeXTSTEP platform that would later be acquired by Apple to form the basis of macOS. The first desktop version, Mac OS X 10.0, was released in March 2001, with its first update, 10.1, arriving later that year. All releases from Mac OS X 10.5 Leopard and after are UNIX 03 certified, with an exception for OS X 10.7 Lion. Apple's other operating systems (iOS, iPadOS, watchOS, tvOS, audioOS) are derivatives of macOS. A promi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemistry Software
Chemistry is the scientific study of the properties and behavior of matter. It is a natural science that covers the elements that make up matter to the compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a reaction with other substances. Chemistry also addresses the nature of chemical bonds in chemical compounds. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it provides a foundation for understanding both basic and applied scientific disciplines at a fundamental level. For example, chemistry explains aspects of plant growth (botany), the formation of igneous rocks (geology), how atmospheric ozone is formed and how environmental pollutants are degraded (ecology), the properties of the soil on the moon (cosmochemistry), how medications work (pharmacology), and how to collect DNA evidence a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Angewandte Chemie International Edition
''Angewandte Chemie'' (, meaning "Applied Chemistry") is a weekly peer-reviewed scientific journal that is published by Wiley-VCH on behalf of the German Chemical Society (Gesellschaft Deutscher Chemiker). Publishing formats include feature-length reviews, short highlights, research communications, minireviews, essays, book reviews, meeting reviews, correspondences, corrections, and obituaries. This journal contains review articles covering all aspects of chemistry. According to the ''Journal Citation Reports'', the journal had a 2021 impact factor of 16.823. Editions The journal appears in two editions with separate volume and page numbering: a German edition, ''Angewandte Chemie'' ( (print), (online)), and a fully English-language edition, ''Angewandte Chemie International Edition'' ( (print), (online)). The editions are identical in content with the exception of occasional reviews of German-language books or German translations of IUPAC recommendations. Business model ''A ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Science (journal)
''Science'', also widely referred to as ''Science Magazine'', is the peer-reviewed academic journal of the American Association for the Advancement of Science (AAAS) and one of the world's top academic journals. It was first published in 1880, is currently circulated weekly and has a subscriber base of around 130,000. Because institutional subscriptions and online access serve a larger audience, its estimated readership is over 400,000 people. ''Science'' is based in Washington, D.C., United States, with a second office in Cambridge, UK. Contents The major focus of the journal is publishing important original scientific research and research reviews, but ''Science'' also publishes science-related news, opinions on science policy and other matters of interest to scientists and others who are concerned with the wide implications of science and technology. Unlike most scientific journals, which focus on a specific field, ''Science'' and its rival ''Nature (journal), Nature'' c ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Phytochemistry (journal)
''Phytochemistry'' is a peer-reviewed scientific journal covering pure and applied plant chemistry, plant biochemistry and molecular biology. It is published by Elsevier and is an official publication for the Phytochemical Society of Europe, the Phytochemical Society of North America, and the Phytochemical Society of Asia. A sister journal ''Phytochemistry Letters'' is published since 2008. Abstracting and indexing ''Phytochemistry'' is abstracted and indexed in: According to the ''Journal Citation Reports'', the journal has a 2020 impact factor The impact factor (IF) or journal impact factor (JIF) of an academic journal is a scientometric index calculated by Clarivate that reflects the yearly mean number of citations of articles published in the last two years in a given journal, as i ... of 4.072. References External links {{Official website, http://www.journals.elsevier.com/phytochemistry/ Biochemistry journals Botany journals Elsevier academic journals Eng ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Software Development Kit
A software development kit (SDK) is a collection of software development tools in one installable package. They facilitate the creation of applications by having a compiler, debugger and sometimes a software framework. They are normally specific to a hardware platform and operating system An operating system (OS) is system software that manages computer hardware, software resources, and provides common services for computer programs. Time-sharing operating systems schedule tasks for efficient use of the system and may also in ... combination. To create applications with advanced functionalities such as advertisements, push notifications, etc; most application software developers use specific software development kits. Some SDKs are required for developing a platform-specific app. For example, the development of an Android app on the Java (programming language), Java platform requires a Java Development Kit. For iOS applications (apps) the iOS SDK is required. For Universal ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
SDF (chemistry File Format)
Chemical table file (CT File) is a family of text-based chemical file formats that describe molecules and chemical reactions. One format, for example, lists each atom in a molecule, the x-y-z coordinates of that atom, and the bonds among the atoms. File formats 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. CT File is an open format, BIOVIA publishes its specification. BIOVIA requires users to register to download the CTFile format specifications. Molfile An MDL Molfile 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 molfil ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
