Molecular design softwareMolecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including: Molecular graphics interactive molecular drawing and conformational editing building polymeric molecules, crystals, and solvated systems partial charges development g
Linear formIn mathematics, a linear form (also known as a linear functional, a one-form, or a covector) is a linear map from a vector space to its field of scalars (often, the real numbers or the complex numbers). If V is a vector space over a field k, the set of all linear functionals from V to k is itself a vector space over k with addition and scalar multiplication defined pointwise. This space is called the dual space of V, or sometimes the algebraic dual space, when a topological dual space is also considered.
Linear mapIn mathematics, and more specifically in linear algebra, a linear map (also called a linear mapping, linear transformation, vector space homomorphism, or in some contexts linear function) is a mapping between two vector spaces that preserves the operations of vector addition and scalar multiplication. The same names and the same definition are also used for the more general case of modules over a ring; see Module homomorphism. If a linear map is a bijection then it is called a .
Linear modelIn statistics, the term linear model is used in different ways according to the context. The most common occurrence is in connection with regression models and the term is often taken as synonymous with linear regression model. However, the term is also used in time series analysis with a different meaning. In each case, the designation "linear" is used to identify a subclass of models for which substantial reduction in the complexity of the related statistical theory is possible.
Partial derivativeIn mathematics, a partial derivative of a function of several variables is its derivative with respect to one of those variables, with the others held constant (as opposed to the total derivative, in which all variables are allowed to vary). Partial derivatives are used in vector calculus and differential geometry. The partial derivative of a function with respect to the variable is variously denoted by It can be thought of as the rate of change of the function in the -direction.
Linear regressionIn statistics, linear regression is a linear approach for modelling the relationship between a scalar response and one or more explanatory variables (also known as dependent and independent variables). The case of one explanatory variable is called simple linear regression; for more than one, the process is called multiple linear regression. This term is distinct from multivariate linear regression, where multiple correlated dependent variables are predicted, rather than a single scalar variable.
Linear algebraLinear algebra is the branch of mathematics concerning linear equations such as: linear maps such as: and their representations in vector spaces and through matrices. Linear algebra is central to almost all areas of mathematics. For instance, linear algebra is fundamental in modern presentations of geometry, including for defining basic objects such as lines, planes and rotations. Also, functional analysis, a branch of mathematical analysis, may be viewed as the application of linear algebra to spaces of functions.
FractionA fraction (from fractus, "broken") represents a part of a whole or, more generally, any number of equal parts. When spoken in everyday English, a fraction describes how many parts of a certain size there are, for example, one-half, eight-fifths, three-quarters. A common, vulgar, or simple fraction (examples: and ) consists of an integer numerator, displayed above a line (or before a slash like ), and a non-zero integer denominator, displayed below (or after) that line.
Inverse Laplace transformIn mathematics, the inverse Laplace transform of a function F(s) is the piecewise-continuous and exponentially-restricted real function f(t) which has the property: where denotes the Laplace transform. It can be proven that, if a function F(s) has the inverse Laplace transform f(t), then f(t) is uniquely determined (considering functions which differ from each other only on a point set having Lebesgue measure zero as the same). This result was first proven by Mathias Lerch in 1903 and is known as Lerch's theorem.
Sinc functionIn mathematics, physics and engineering, the sinc function, denoted by sinc(x), has two forms, normalized and unnormalized. In mathematics, the historical unnormalized sinc function is defined for x ≠ 0 by Alternatively, the unnormalized sinc function is often called the sampling function, indicated as Sa(x). In digital signal processing and information theory, the normalized sinc function is commonly defined for x ≠ 0 by In either case, the value at x = 0 is defined to be the limiting value for all real a ≠ 0 (the limit can be proven using the squeeze theorem).
LinearityIn mathematics, the term linear is used in two distinct senses for two different properties: linearity of a function (or mapping ); linearity of a polynomial. An example of a linear function is the function defined by that maps the real line to a line in the Euclidean plane R2 that passes through the origin. An example of a linear polynomial in the variables and is Linearity of a mapping is closely related to proportionality. Examples in physics include the linear relationship of voltage and current in an electrical conductor (Ohm's law), and the relationship of mass and weight.
DefinitionA definition is a statement of the meaning of a term (a word, phrase, or other set of symbols). Definitions can be classified into two large categories: intensional definitions (which try to give the sense of a term), and extensional definitions (which try to list the objects that a term describes). Another important category of definitions is the class of ostensive definitions, which convey the meaning of a term by pointing out examples. A term may have many different senses and multiple meanings, and thus require multiple definitions.
