Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Software engineeringSoftware engineering is an engineering-based approach to software development. A software engineer is a person who applies the engineering design process to design, develop, maintain, test, and evaluate computer software. The term programmer is sometimes used as a synonym, but may emphasize software implementation over design and can also lack connotations of engineering education or skills. Engineering techniques are used to inform the software development process, which involves the definition, implementation, assessment, measurement, management, change, and improvement of the software life cycle process itself.
GIFThe Graphics Interchange Format (GIF; ɡɪf or dʒɪf , see pronunciation) is a bitmap that was developed by a team at the online services provider CompuServe led by American computer scientist Steve Wilhite and released on June 15, 1987. It is in widespread usage on the World Wide Web due to its wide support and portability between applications and operating systems. The format supports up to 8 bits per pixel for each image, allowing a single image to reference its own palette of up to 256 different colors chosen from the 24-bit RGB color space.
Software architectureSoftware architecture is the set of structures needed to reason about a software system and the discipline of creating such structures and systems. Each structure comprises software elements, relations among them, and properties of both elements and relations. The architecture of a software system is a metaphor, analogous to the architecture of a building. It functions as the blueprints for the system and the development project, which project management can later use to extrapolate the tasks necessary to be executed by the teams and people involved.
FaviconA favicon (ˈfæv.ɪˌkɒn; short for favorite icon), also known as a shortcut icon, website icon, tab icon, URL icon, or bookmark icon, is a file containing one or more small icons associated with a particular website or web page. A web designer can create such an icon and upload it to a website (or web page) by several means, and graphical web browsers will then make use of it. Browsers that provide favicon support typically display a page's favicon in the browser's address bar (sometimes in the history as well) and next to the page's name in a list of bookmarks.
Small moleculeIn molecular biology and pharmacology, a small molecule or micromolecule is a low molecular weight (≤ 1000 daltons) organic compound that may regulate a biological process, with a size on the order of 1 nm. Many drugs are small molecules; the terms are equivalent in the literature. Larger structures such as nucleic acids and proteins, and many polysaccharides are not small molecules, although their constituent monomers (ribo- or deoxyribonucleotides, amino acids, and monosaccharides, respectively) are often considered small molecules.
Nobel Prize in ChemistryThe Nobel Prize in Chemistry (Nobelpriset i kemi) is awarded annually by the Royal Swedish Academy of Sciences to scientists in the various fields of chemistry. It is one of the five Nobel Prizes established by the will of Alfred Nobel in 1895, awarded for outstanding contributions in chemistry, physics, literature, peace, and physiology or medicine. This award is administered by the Nobel Foundation, and awarded by the Royal Swedish Academy of Sciences on proposal of the Nobel Committee for Chemistry which consists of five members elected by the Academy.
Reaction mechanismIn chemistry, a reaction mechanism is the step by step sequence of elementary reactions by which overall chemical reaction occurs. A chemical mechanism is a theoretical conjecture that tries to describe in detail what takes place at each stage of an overall chemical reaction. The detailed steps of a reaction are not observable in most cases. The conjectured mechanism is chosen because it is thermodynamically feasible and has experimental support in isolated intermediates (see next section) or other quantitative and qualitative characteristics of the reaction.
Reaction intermediateIn chemistry, a reaction intermediate or an intermediate is a molecular entity that is formed from the reactants (or preceding intermediates) but is consumed in further reactions in stepwise chemical reactions that contain multiple elementary steps. Intermediates are the reaction product of one elementary step, but do not appear in the chemical equation for an overall chemical equation. For example, consider this hypothetical stepwise reaction: A + B -> C + D The reaction includes two elementary steps: A + B -> X X -> C + D In this example, X is a reaction intermediate.
Persistent data structureIn computing, a persistent data structure or not ephemeral data structure is a data structure that always preserves the previous version of itself when it is modified. Such data structures are effectively immutable, as their operations do not (visibly) update the structure in-place, but instead always yield a new updated structure. The term was introduced in Driscoll, Sarnak, Sleator, and Tarjans' 1986 article. A data structure is partially persistent if all versions can be accessed but only the newest version can be modified.
PaclitaxelPaclitaxel (PTX), sold under the brand name Taxol among others, is a chemotherapy medication used to treat ovarian cancer, esophageal cancer, breast cancer, lung cancer, Kaposi's sarcoma, cervical cancer, and pancreatic cancer. It is administered by intravenous injection. There is also an albumin-bound formulation. Common side effects include hair loss, bone marrow suppression, numbness, allergic reactions, muscle pains, and diarrhea. Other side effects include heart problems, increased risk of infection, and lung inflammation.
