Total synthesisTotal synthesis is the complete chemical synthesis of a complex molecule, often a natural product, from simple, commercially-available precursors. It usually refers to a process not involving the aid of biological processes, which distinguishes it from semisynthesis. Syntheses may sometimes conclude at a precursor with further known synthetic pathways to a target molecule, in which case it is known as a formal synthesis. Total synthesis target molecules can be natural products, medicinally-important active ingredients, known intermediates, or molecules of theoretical interest.
Maximum flow problemIn optimization theory, maximum flow problems involve finding a feasible flow through a flow network that obtains the maximum possible flow rate. The maximum flow problem can be seen as a special case of more complex network flow problems, such as the circulation problem. The maximum value of an s-t flow (i.e., flow from source s to sink t) is equal to the minimum capacity of an s-t cut (i.e., cut severing s from t) in the network, as stated in the max-flow min-cut theorem. The maximum flow problem was first formulated in 1954 by T.
Reduced chi-squared statisticIn statistics, the reduced chi-square statistic is used extensively in goodness of fit testing. It is also known as mean squared weighted deviation (MSWD) in isotopic dating and variance of unit weight in the context of weighted least squares. Its square root is called regression standard error, standard error of the regression, or standard error of the equation (see ) It is defined as chi-square per degree of freedom: where the chi-squared is a weighted sum of squared deviations: with inputs: variance , observations O, and calculated data C.
Markov chainA Markov chain or Markov process is a stochastic model describing a sequence of possible events in which the probability of each event depends only on the state attained in the previous event. Informally, this may be thought of as, "What happens next depends only on the state of affairs now." A countably infinite sequence, in which the chain moves state at discrete time steps, gives a discrete-time Markov chain (DTMC). A continuous-time process is called a continuous-time Markov chain (CTMC).
Matching (graph theory)In the mathematical discipline of graph theory, a matching or independent edge set in an undirected graph is a set of edges without common vertices. In other words, a subset of the edges is a matching if each vertex appears in at most one edge of that matching. Finding a matching in a bipartite graph can be treated as a network flow problem. Given a graph G = (V, E), a matching M in G is a set of pairwise non-adjacent edges, none of which are loops; that is, no two edges share common vertices.
Mean squared prediction errorIn statistics the mean squared prediction error (MSPE), also known as mean squared error of the predictions, of a smoothing, curve fitting, or regression procedure is the expected value of the squared prediction errors (PE), the square difference between the fitted values implied by the predictive function and the values of the (unobservable) true value g. It is an inverse measure of the explanatory power of and can be used in the process of cross-validation of an estimated model.
Joint probability distributionGiven two random variables that are defined on the same probability space, the joint probability distribution is the corresponding probability distribution on all possible pairs of outputs. The joint distribution can just as well be considered for any given number of random variables. The joint distribution encodes the marginal distributions, i.e. the distributions of each of the individual random variables. It also encodes the conditional probability distributions, which deal with how the outputs of one random variable are distributed when given information on the outputs of the other random variable(s).
Gumbel distributionIn probability theory and statistics, the Gumbel distribution (also known as the type-I generalized extreme value distribution) is used to model the distribution of the maximum (or the minimum) of a number of samples of various distributions. This distribution might be used to represent the distribution of the maximum level of a river in a particular year if there was a list of maximum values for the past ten years. It is useful in predicting the chance that an extreme earthquake, flood or other natural disaster will occur.
Biregular graphIn graph-theoretic mathematics, a biregular graph or semiregular bipartite graph is a bipartite graph for which every two vertices on the same side of the given bipartition have the same degree as each other. If the degree of the vertices in is and the degree of the vertices in is , then the graph is said to be -biregular. Every complete bipartite graph is -biregular. The rhombic dodecahedron is another example; it is (3,4)-biregular. An -biregular graph must satisfy the equation .
Knapsack problemThe knapsack problem is the following problem in combinatorial optimization: Given a set of items, each with a weight and a value, determine which items to include in the collection so that the total weight is less than or equal to a given limit and the total value is as large as possible. It derives its name from the problem faced by someone who is constrained by a fixed-size knapsack and must fill it with the most valuable items.
Standard deviationIn statistics, the standard deviation is a measure of the amount of variation or dispersion of a set of values. A low standard deviation indicates that the values tend to be close to the mean (also called the expected value) of the set, while a high standard deviation indicates that the values are spread out over a wider range. Standard deviation may be abbreviated SD, and is most commonly represented in mathematical texts and equations by the lower case Greek letter σ (sigma), for the population standard deviation, or the Latin letter s, for the sample standard deviation.
Effective population sizeThe effective population size (Ne) is a number that, in some simplified scenarios, corresponds to the number of breeding individuals in the population. More generally, Ne is the number of individuals that an idealised population would need to have in order for some specified quantity of interest (typically change of genetic diversity or inbreeding rates) to be the same as in the real population. Idealised populations are based on unrealistic but convenient simplifications such as random mating, simultaneous birth of each new generation, constant population size, and equal numbers of children per parent.
