- molecular graphs
- Макаров: (constitutional) молекулярные (или структурные) графы
Универсальный англо-русский словарь. Академик.ру. 2011.
Универсальный англо-русский словарь. Академик.ру. 2011.
Molecular graph — In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices… … Wikipedia
Molecular Query Language — The Molecular Query Language (MQL) was designed to allow more complex, problem specific search methods in chemoinformatics.[vague] ((more than what?)) The query language is based on an extended Backus–Naur form (EBNF) using JavaCC. In contrast to … Wikipedia
Molecular vibration — A molecular vibration occurs when atoms in a molecule are in periodic motion while the molecule as a whole has constant translational and rotational motion. The frequency of the periodic motion is known as a vibration frequency, and the typical… … Wikipedia
Linear combination of atomic orbitals molecular orbital method — A linear combination of atomic orbitals or LCAO is a quantum superposition of atomic orbitals and a technique for calculating molecular orbitals in quantum chemistry [Huheey, James. Inorganic Chemistry:Principles of Structure and Reactivity ] .… … Wikipedia
Molecule mining — This page describes mining for molecules. Since molecules may be represented by molecular graphs this is strongly related to graph mining and structured data mining. The main problem is how to represent molecules while discriminating the data… … Wikipedia
Topological index — For topological index in mathematics, see Atiyah–Singer index theorem. In the fields of chemical graph theory, molecular topology, and mathematical chemistry, a topological index also known as a connectivity index is a type of a molecular… … Wikipedia
Поиск количественных соотношений структура-свойство — Поиск количественных соотношений структура свойство процедура построения моделей, позволяющих по структурам химических соединений предсказывать их разнообразные свойства. За моделями, позволяющими прогнозировать количественные… … Википедия
QSAR — Поиск количественных соотношений структура свойство процедура построения моделей, позволяющих по структурам химических соединений предсказывать их разнообразные свойства. За моделями, позволяющими прогнозировать количественные… … Википедия
Monosaccharide — Monosaccharides (from Greek monos: single, sacchar: sugar) are the most basic units of biologically important carbohydrates. They are the simplest form of sugar and are usually colorless, water soluble, crystalline solids. Some monosaccharides… … Wikipedia
Dendrimère — Un dendrimère [1],[2]est une molécule dont la forme reprend celle des branches d un arbre. Le nom vient du grec δενδρον /dendron, signifiant arbre . En 1979, le premier dendrimère a été synthétisé par D.A. Tomalia … Wikipédia en Français
Periodic graph (crystallography) — For other uses, see Periodic graph. A (large) unit cell of Diamond crystal net; the balls represent carbon atoms and the sticks represent covalent bonds … Wikipedia