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At least 919 records · Page 51Linked to original sources
PubMed1993

Refined algorithm and computer program for calculating all non-negative fluxes admissible in steady states of biochemical reaction systems with or without some flux rates fixed.

A refined algorithm together with a computer procedure for determining the complete set of non-negative, steady-state fluxes in biochemical reaction systems of any complexity, with or without some flux rates fixed, is given. It is shown that this set is a convex polyhedron, which may or may not be bounde. The algorithm is illustrated by several examples; one of them concerns intermediary metabolism. A computer code in standard C is presented.

Algorithms↗
PubMed2001

ChromWin--a computer program for the determination of enantiomerization barriers in dynamic chromatography.

The software program ChromWin simulates interconversion profiles in dynamic chromatography (rearrangements, isomerizations, epimerizations, diastereomerizations and, notably, enanatiomerizations) on a personal computer in a user-friendly environment. ChromWin is especially suited for systems involving large plate numbers, e.g. gas chromatography (GC) and capillary electrophoresis (CE, CEC, MEKC), and first or pseudo-first order reactions. ChromWin (1) simulates the elution profiles of interconverting enantiomers by different models and yields the rate constant, (2) allows automation of the 'find enantiomerization barrier' function, (3) helps to optimise separation parameters by visualization of the separation process and (4) provides other useful tools for chromatography. In addition to the theoretical plate and the stochastic model a modified and improved stochastic model has been developed and implemented in the program.

Journal Article↗
PubMed1994

[A computer program to calculate expected cases in a dynamic cohort].

ECIDC (Expected Cases in Dynamic Cohorts) is a new interactive computerized programme in English for personal computers, created specifically to calculate expected cases in prospective cohort studies. Programmes available up to now have calculated the denominators of measurements of frequency, expressed in person-years, using the recruitment date and exit date of each individual in the cohort. ECIDC, instead, calculates directly the number of expected cases, recognizing only the date of recruitment. The programme considers the aging of the cohort, estimates the effect due to competitive mortality and eliminates the expected deaths. Then, it calculates the expected cases by applying incidence or specific mortality from the reference population. ECIDC considers the period effects of both competitive mortality and expected incidence. When observed reference data is lacking, it compiles estimates of age-specific incidence and/or mortality trends. ECIDC can be used in power calculation for the cohort study. It also can be applied to simulation studies of incidence and mortality trends. The present paper tries out various simulations and shows the potential of the computerized programme.

Adolescent↗
PubMed1982

GGDMLE: a computer program which finds maximum likelihood estimates for the generalized log gamma distribution.

A FORTRAN program is described which finds maximum likelihood estimates for the generalized log gamma model for survival time data. The model includes regression variables which are assumed to be linearly related to log survival time and handles censored data. The shape parameter is treated as fixed in the optimization procedure (a modification of Powell's hybrid method), but the program can find maximum likelihood estimates (MLE) for several different values of the shape parameter in one run. The other parameters can be optionally fixed so special cases of the generalized log gamma (GLG) model, such as the log exponential, extreme value and normal models, can be studied. A subroutine is included which calculates initial parameter estimates for a given shape parameter value which can be used to start the optimization procedure. After some background mathematics, a description of how to use the program is given, including input/output features, a description of the subroutines and an explanation of the flow of control. An application, using data from Princess Margaret Hospital, Toronto, is presented to illustrate the program's use.

Breast Neoplasms↗