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When successive powers of a matrix T become small (that is, when all of the entries of T approach zero, upon raising T to successive powers), the matrix T converges to the zero matrix. A regular splitting of a non-singular matrix A results in a convergent matrix T. A semi-convergent splitting of a matrix A results in a semi-convergent matrix T.
Molecular structures are graphs with chemical constraints such as valences, bond multiplicity and fragments. These generators are the core of CASE systems. In a generator, the molecular formula is the basic input. If fragments are obtained from the experimental data, they can also be used as inputs to accelerate structure generation.
A matrix effect value of less than 100 indicates suppression, while a value larger than 100 is a sign of matrix enhancement. An alternative definition of matrix effect utilizes the formula: M E = 100 ( A ( e x t r a c t ) A ( s t a n d a r d ) ) − 100 {\displaystyle ME=100\left({\frac {A(extract)}{A(standard)}}\right)-100}
Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
Matrix congruence is an equivalence relation. Matrix congruence arises when considering the effect of change of basis on the Gram matrix attached to a bilinear form or quadratic form on a finite-dimensional vector space: two matrices are congruent if and only if they represent the same bilinear form with respect to different bases.
Synonym for binary matrix or logical matrix. Alternant matrix: A matrix in which successive columns have a particular function applied to their entries. Alternating sign matrix: A square matrix with entries 0, 1 and −1 such that the sum of each row and column is 1 and the nonzero entries in each row and column alternate in sign. Anti-diagonal ...
Conjugate gradient, assuming exact arithmetic, converges in at most n steps, where n is the size of the matrix of the system (here n = 2). In mathematics, the conjugate gradient method is an algorithm for the numerical solution of particular systems of linear equations, namely those whose matrix is positive-semidefinite.
In chemistry a convergent synthesis is a strategy that aims to improve the efficiency of multistep synthesis, most often in organic synthesis. In this type of synthesis several individual pieces of a complex molecule are synthesized in stage one, and then in stage two these pieces are combined to form the final product. [ 1 ]