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Chemsketch
ACD/ChemSketch is a molecular modeling program used to create and modify images of chemical structures. Also, there is a software that allows molecules and molecular models displayed in two and three dimensions, to understand the structure of chemical bonds and the nature of the functional groups. Features The program offers some advanced features that allows the molecules rotate and apply color to improve visualization. It has several templates with ions and functional groups with the possibility to add text and use other tools to optimize productions created by the software. Applications Using ACD/ChemSketch is primarily for educational use. With this program it is possible to write and perform chemical equations, diagrams laboratories and chemical structures of various entity. See also * ChemDraw * Software design * 3D graphics software * Molecule editor A molecule editor is a computer program for creating and modifying representations of chemical structures. Molecu ...
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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 ...
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Microsoft Windows
Windows is a group of several proprietary graphical operating system families developed and marketed by Microsoft. Each family caters to a certain sector of the computing industry. For example, Windows NT for consumers, Windows Server for servers, and Windows IoT for embedded systems. Defunct Windows families include Windows 9x, Windows Mobile, and Windows Phone. The first version of Windows was released on November 20, 1985, as a graphical operating system shell for MS-DOS in response to the growing interest in graphical user interfaces (GUIs). Windows is the most popular desktop operating system in the world, with 75% market share , according to StatCounter. However, Windows is not the most used operating system when including both mobile and desktop OSes, due to Android's massive growth. , the most recent version of Windows is Windows 11 for consumer PCs and tablets, Windows 11 Enterprise for corporations, and Windows Server 2022 for servers. Genealogy By marketing ...
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Advanced Chemistry Development
Advanced Chemistry Development, Inc., (ACD/Labs) specializes in the design of software, with a focus on the R&D and chemistry of molecules ('small molecules'). ACD/Labs provides solutions for the enterprise in varied areas, including analytical data handling and knowledge management; in addition, molecular property modelling and property-based design are relevant areas of expertise in ACD Labs. Location The company is headquartered in Toronto, Ontario, Canada with direct sales offices in the UK, Germany, France, China, and India. The distribution channel extends throughout Europe to Australia, S. America, and Africa. History ACD/Labs was founded in 1994 as a private company. The intention was to monetize the experience of an international team of scientists specializing in quantitative structure-property relationships, such as NMR spectra and various physico-chemical properties, such as pKa, logP, logD, boiling point, vapor pressure. Early on the development focused on predictor ...
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Proprietary Software
Proprietary software is software that is deemed within the free and open-source software to be non-free because its creator, publisher, or other rightsholder or rightsholder partner exercises a legal monopoly afforded by modern copyright and intellectual property law to exclude the recipient from freely sharing the software or modifying it, and—in some cases, as is the case with some patent-encumbered and EULA-bound software—from making use of the software on their own, thereby restricting his or her freedoms. It is often contrasted with open-source or free software. For this reason, it is also known as non-free software or closed-source software. Types Origin Until the late 1960s computers—large and expensive mainframe computers, machines in specially air-conditioned computer rooms—were usually leased to customers rather than sold. Service and all software available were usually supplied by manufacturers without separate charge until 1969. Computer vendors ...
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Molecular Modeling
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system. The common feature of molecular modelling methods is the atomistic level description of the molecular systems. This may include treating atoms as the smallest individual unit (a molecular mechanics approach), or explicitly modelling protons and neutrons with its quarks, anti-quarks and gluons and electrons with its photons (a quantum chemistry approach). Molecular mechanics Molecular mechanics is one aspect of molecular modelling, as it involves the use of classical mec ...
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Chemical Structure
A chemical structure determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid. Molecular geometry refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together, and can be represented using structural formulae and by molecular models; complete electronic structure descriptions include specifying the occupation of a molecule's molecular orbitals. Structure determination can be applied to a range of targets from very simple molecules (e.g., diatomic oxygen or nitrogen), to very complex ones (e.g., such as protein or DNA). Background Theories of chemical structure were first developed by August Kekulé, Archibald Scott Couper, and Aleksandr Butlerov, among others, from about 1858. These theories were first to state that chemical compounds are not a random cluster of atoms and functional groups, but rather had a definite order ...
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Software
Software is a set of computer programs and associated documentation and data. This is in contrast to hardware, from which the system is built and which actually performs the work. At the lowest programming level, executable code consists of machine language instructions supported by an individual processor—typically a central processing unit (CPU) or a graphics processing unit (GPU). Machine language consists of groups of binary values signifying processor instructions that change the state of the computer from its preceding state. For example, an instruction may change the value stored in a particular storage location in the computer—an effect that is not directly observable to the user. An instruction may also invoke one of many input or output operations, for example displaying some text on a computer screen; causing state changes which should be visible to the user. The processor executes the instructions in the order they are provided, unless it is instructed ...
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Molecule
A molecule is a group of two or more atoms held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions which satisfy this criterion. In quantum physics, organic chemistry, and biochemistry, the distinction from ions is dropped and ''molecule'' is often used when referring to polyatomic ions. A molecule may be homonuclear, that is, it consists of atoms of one chemical element, e.g. two atoms in the oxygen molecule (O2); or it may be heteronuclear, a chemical compound composed of more than one element, e.g. water (two hydrogen atoms and one oxygen atom; H2O). In the kinetic theory of gases, the term ''molecule'' is often used for any gaseous particle regardless of its composition. This relaxes the requirement that a molecule contains two or more atoms, since the noble gases are individual atoms. Atoms and complexes connected by non-covalent interactions, such as hydrogen bonds or ionic bonds, are typically not consid ...
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Chemical Equations
A chemical equation is the symbolic representation of a chemical reaction in the form of symbols and chemical formulas. The reactant entities are given on the left-hand side and the product entities on the right-hand side with a plus sign between the entities in both the reactants and the products, and an arrow that points towards the products to show the direction of the reaction. The chemical formulas may be symbolic, structural (pictorial diagrams), or intermixed. The coefficients next to the symbols and formulas of entities are the absolute values of the stoichiometric numbers. The first chemical equation was diagrammed by Jean Beguin in 1615. Structure A chemical equation (see an example below) consists of a list of reactants (the starting substances) on the left-hand side, an arrow symbol, and a list of products (substances formed in the chemical reaction) on the right-hand side. Each substance is specified by its chemical formula, optionally preceded by a number called ...
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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 ...
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Software Design
Software design is the process by which an agent creates a specification of a software artifact intended to accomplish goals, using a set of primitive components and subject to constraints. Software design may refer to either "all the activity involved in conceptualizing, framing, implementing, commissioning, and ultimately modifying complex systems" or "the activity following requirements specification and before programming, as ... na stylized software engineering process." Software design usually involves problem-solving and planning a software solution. This includes both a low-level component and algorithm design and a high-level, architecture design. Overview Software design is the process of envisioning and defining software solutions to one or more sets of problems. One of the main components of software design is the software requirements analysis (SRA). SRA is a part of the software development process that lists specifications used in software engineering. If ...
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