Metabolic network modellingMetabolic network modelling, also known as metabolic network reconstruction or metabolic pathway analysis, allows for an in-depth insight into the molecular mechanisms of a particular organism. In particular, these models correlate the genome with molecular physiology. A reconstruction breaks down metabolic pathways (such as glycolysis and the citric acid cycle) into their respective reactions and enzymes, and analyzes them within the perspective of the entire network.
Graph theoryIn mathematics, graph theory is the study of graphs, which are mathematical structures used to model pairwise relations between objects. A graph in this context is made up of vertices (also called nodes or points) which are connected by edges (also called links or lines). A distinction is made between undirected graphs, where edges link two vertices symmetrically, and directed graphs, where edges link two vertices asymmetrically. Graphs are one of the principal objects of study in discrete mathematics.
Chemical reactionA chemical reaction is a process that leads to the chemical transformation of one set of chemical substances to another. Classically, chemical reactions encompass changes that only involve the positions of electrons in the forming and breaking of chemical bonds between atoms, with no change to the nuclei (no change to the elements present), and can often be described by a chemical equation. Nuclear chemistry is a sub-discipline of chemistry that involves the chemical reactions of unstable and radioactive elements where both electronic and nuclear changes can occur.
Graph coloringIn graph theory, graph coloring is a special case of graph labeling; it is an assignment of labels traditionally called "colors" to elements of a graph subject to certain constraints. In its simplest form, it is a way of coloring the vertices of a graph such that no two adjacent vertices are of the same color; this is called a vertex coloring. Similarly, an edge coloring assigns a color to each edge so that no two adjacent edges are of the same color, and a face coloring of a planar graph assigns a color to each face or region so that no two faces that share a boundary have the same color.
Path (graph theory)In graph theory, a path in a graph is a finite or infinite sequence of edges which joins a sequence of vertices which, by most definitions, are all distinct (and since the vertices are distinct, so are the edges). A directed path (sometimes called dipath) in a directed graph is a finite or infinite sequence of edges which joins a sequence of distinct vertices, but with the added restriction that the edges be all directed in the same direction. Paths are fundamental concepts of graph theory, described in the introductory sections of most graph theory texts.
Distance (graph theory)In the mathematical field of graph theory, the distance between two vertices in a graph is the number of edges in a shortest path (also called a graph geodesic) connecting them. This is also known as the geodesic distance or shortest-path distance. Notice that there may be more than one shortest path between two vertices. If there is no path connecting the two vertices, i.e., if they belong to different connected components, then conventionally the distance is defined as infinite.
Component (graph theory)In graph theory, a component of an undirected graph is a connected subgraph that is not part of any larger connected subgraph. The components of any graph partition its vertices into disjoint sets, and are the induced subgraphs of those sets. A graph that is itself connected has exactly one component, consisting of the whole graph. Components are sometimes called connected components. The number of components in a given graph is an important graph invariant, and is closely related to invariants of matroids, topological spaces, and matrices.
Connectivity (graph theory)In mathematics and computer science, connectivity is one of the basic concepts of graph theory: it asks for the minimum number of elements (nodes or edges) that need to be removed to separate the remaining nodes into two or more isolated subgraphs. It is closely related to the theory of network flow problems. The connectivity of a graph is an important measure of its resilience as a network. In an undirected graph G, two vertices u and v are called connected if G contains a path from u to v.
Social networkA social network is a social structure made up of a set of social actors (such as individuals or organizations), sets of dyadic ties, and other social interactions between actors. The social network perspective provides a set of methods for analyzing the structure of whole social entities as well as a variety of theories explaining the patterns observed in these structures. The study of these structures uses social network analysis to identify local and global patterns, locate influential entities, and examine network dynamics.
Network scienceNetwork science is an academic field which studies complex networks such as telecommunication networks, computer networks, biological networks, cognitive and semantic networks, and social networks, considering distinct elements or actors represented by nodes (or vertices) and the connections between the elements or actors as links (or edges). The field draws on theories and methods including graph theory from mathematics, statistical mechanics from physics, data mining and information visualization from computer science, inferential modeling from statistics, and social structure from sociology.
Cycle (graph theory)In graph theory, a cycle in a graph is a non-empty trail in which only the first and last vertices are equal. A directed cycle in a directed graph is a non-empty directed trail in which only the first and last vertices are equal. A graph without cycles is called an acyclic graph. A directed graph without directed cycles is called a directed acyclic graph. A connected graph without cycles is called a tree. A circuit is a non-empty trail in which the first and last vertices are equal (closed trail).
Sequence analysisIn bioinformatics, sequence analysis is the process of subjecting a DNA, RNA or peptide sequence to any of a wide range of analytical methods to understand its features, function, structure, or evolution. Methodologies used include sequence alignment, searches against biological databases, and others. Since the development of methods of high-throughput production of gene and protein sequences, the rate of addition of new sequences to the databases increased very rapidly.
Community structureIn the study of complex networks, a network is said to have community structure if the nodes of the network can be easily grouped into (potentially overlapping) sets of nodes such that each set of nodes is densely connected internally. In the particular case of non-overlapping community finding, this implies that the network divides naturally into groups of nodes with dense connections internally and sparser connections between groups. But overlapping communities are also allowed.
Network theoryIn mathematics, computer science and network science, network theory is a part of graph theory. It defines networks as graphs where the nodes or edges possess attributes. Network theory analyses these networks over the symmetric relations or asymmetric relations between their (discrete) components. Network theory has applications in many disciplines, including statistical physics, particle physics, computer science, electrical engineering, biology, archaeology, linguistics, economics, finance, operations research, climatology, ecology, public health, sociology, psychology, and neuroscience.
Independent set (graph theory)In graph theory, an independent set, stable set, coclique or anticlique is a set of vertices in a graph, no two of which are adjacent. That is, it is a set of vertices such that for every two vertices in , there is no edge connecting the two. Equivalently, each edge in the graph has at most one endpoint in . A set is independent if and only if it is a clique in the graph's complement. The size of an independent set is the number of vertices it contains. Independent sets have also been called "internally stable sets", of which "stable set" is a shortening.
MetabolismMetabolism (məˈtæbəlɪzəm, from μεταβολή metabolē, "change") is the set of life-sustaining chemical reactions in organisms. The three main functions of metabolism are: the conversion of the energy in food to energy available to run cellular processes; the conversion of food to building blocks for proteins, lipids, nucleic acids, and some carbohydrates; and the elimination of metabolic wastes. These enzyme-catalyzed reactions allow organisms to grow and reproduce, maintain their structures, and respond to their environments.
Synthetic biologySynthetic biology (SynBio) is a multidisciplinary field of science that focuses on living systems and organisms, and it applies engineering principles to develop new biological parts, devices, and systems or to redesign existing systems found in nature. It is a branch of science that encompasses a broad range of methodologies from various disciplines, such as biotechnology, biomaterials, material science/engineering, genetic engineering, molecular biology, molecular engineering, systems biology, membrane science, biophysics, chemical and biological engineering, electrical and computer engineering, control engineering and evolutionary biology.
Organic chemistryOrganic chemistry is a subdiscipline within chemistry involving the scientific study of the structure, properties, and reactions of organic compounds and organic materials, i.e., matter in its various forms that contain carbon atoms. Study of structure determines their structural formula. Study of properties includes physical and chemical properties, and evaluation of chemical reactivity to understand their behavior.
Natural productA natural product is a natural compound or substance produced by a living organism—that is, found in nature. In the broadest sense, natural products include any substance produced by life. Natural products can also be prepared by chemical synthesis (both semisynthesis and total synthesis) and have played a central role in the development of the field of organic chemistry by providing challenging synthetic targets.
CheminformaticsCheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer and information science techniques—so called "in silico" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such in silico techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design.
