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PubMed1992

A 1H and 13C NMR study of oligosaccharides from human milk. Application of the computer program CASPER.

Several oligosaccharides from human milk, containing vicinally branched residues, have been analysed with respect to induced NMR chemical shift changes that originate from the branching. Two types of branching were investigated: (i) linear oligosaccharides with a 2-linked residue, which thus becomes vicinally 1,2-disubstituted, and (ii) oligosaccharides with either 2,3- or 3,4-branching. It could be concluded that, in 13C NMR spectra of the first type, for which only moderately sized induced changes (< 2 ppm) had been observed previously, large (> 5 ppm) changes are also present. For 2,3- and 3,4-branching, changes similar to those observed earlier were found. In 1H NMR spectra, significant induced shifts for signals from anomeric, aglyconic, and H-5 protons were observed. For most trisaccharides, a unique set of values for the chemical shift differences was found, thus making it suitable to use them for characterisation of substitution patterns in the analysis with the computer program CASPER.

Carbohydrate Conformation↗
PubMed1996

Computer program to predict likelihood of finding and HLA-matched donor: methodology, validation, and application.

Approximately 65% of the patients requiring bone marrow transplantation do not have an HLA-A, -B, -DR identical sibling and therefore need to find a phenotypically matched unrelated donor. As of June 30, 1996, the National Marrow Donor Program maintains a registry of 2.31 million volunteer donors, 35% of whom are fully typed for HLA-A, -B, -DR loci. Because a majority of the donors has not been DR typed, a patient who does not find a complete match at the time of the preliminary search may elect to prospectively DR type A, B matched and A, B one-antigen mismatched donors. An efficient strategy is therefore needed for determining the likelihood that an appropriate donor exists and for deciding which of the donors that have not yet been DR typed should be tested for DR matching with the candidate. We developed a mathematical algorithm and computer program to facilitate the search for a suitable donor by donor race and phenotype. The program provides information on the likelihood of 1) finding at least one HLA-A, -B, -DR phenotypically matched donor, 2) the likelihood of finding at least one DR match among m A, B matched donors who have not yet been DR typed, and 3) the likelihood of an A, B one antigen mismatched donor of a specific phenotype being a DR match with the patient. The mathematical models underlying the program are based on basic population genetics theory and utilize HLA-A, -B, DR haplotype frequencies derived from the NMDP registry. The results of the validation study show that the prediction is highly accurate at the level of broad antigens. The algorithm and program have the potential to assist patients and physicians in optimizing their decisions regarding clinical management and resource allocation on the process of searching for a suitable unrelated bone marrow donor.

Blood Donors↗
PubMedDate not supplied

Drug absorption evaluation in the presence of changes in clearance: an algorithm and computer program for deconvolution with exact clearance correction.

Most commonly drug absorption is evaluated with a reference dosing given on separate occasions. The assumption that no change in drug disposition is taking place between the drug administrations is often violated resulting in errors in the calculations. A novel deconvolution method is presented which exactly compensates for a change in drug clearance. The method is based on a model independent disposition decomposition-recomposition technique. The distribution function is obtained from an i.v. administration by disposition decomposition. This distribution function is assembled together with the elimination kinetics containing the perturbed clearance to construct the perturbed disposition function in the subsequent disposition recomposition operation. The perturbed absorption response is finally deconvolved using the corresponding perturbed disposition function. It is shown that the perturbed clearance can be obtained from the log-linear terminal disposition phase once the distribution function has been obtained from an i.v. administration. The proposed method is implemented in an algorithm and computer program DCONB and demonstrated using human cimetidine drug level data from an i.v. and oral administration. The usage of DCONB is identical to DECONV previously published. It requires only regular sums of exponentials to be fitted to drug level data. Such fittings are routinely done in pharmacokinetics thereby enabling DCONB to be implemented very simply.

Algorithms↗
PubMed1994

Method for determining the affinity of monoclonal antibody using non-competitive ELISA: a computer program.

A simple and reliable method based upon law of mass action for calculating affinity of a monoclonal antibody using non-competitive ELISA, is described. In this method, the binding of an antibody (Ab) with an antigen (Ag) is measured by ELISA using serial dilutions of both antigen (coated on the plate) as well as antibody. When the OD measured after the antigen antibody interaction was plotted against the concentration of Ab, added to the wells, a hyperbolic curve was obtained. The OD, at any point of the curve, was considered as a direct reflection of the amount of antibody bound to the antigen. The OD-100 denotes the occupancy of maximum no. of epitopes available on the antigen molecules, accessible to the antigen. The concentration of antibody (Ab, Ab') at corresponding levels of antigen concentration (Ag, Ag'), presents the value obtained at OD-50. The [Ag] and [Ag'] are not the true antigen concentrations but are the measurement of antigen density on the plate. The affinity constant K(aff) was calculated by using the formula K(aff) = (n - 1)/2(n[Ab'] - [Ab]), derived from law of mass action, where n = [Ag]/[Ag']. A computer program to calculate the affinity of antibody to the antigen using method described in this manuscript has been developed and discussed.

Antibodies, Monoclonal↗
PubMed1993

MULCOX2: a general computer program for the Cox regression analysis of multivariate failure time data.

Multivariate failure time data is commonly encountered in biomedicine, because each study subject may experience multiple events or because there exists clustering of subjects such that failure times within the same cluster are correlated. MULCOX2 implements a general statistical methodology for analyzing such data. This approach formulates the marginal distributions of multivariate failure times by Cox proportional hazards models without specifying the nature of dependence among related failure times. The baseline hazard functions for the marginal models may be identical or different. A variety of statistical inference can be made regarding the effects of (possibly time-dependent) covariates on the failure rates. Although designed primarily for the marginal approach, MULCOX2 is general enough to implement several alternative methods. The program runs on any computer with a FORTRAN compiler. The running time is minimal. Two illustrative examples are provided.

Age Factors↗
PubMed1986

DNATYPE--a personal computer program for HLA-DR typing based upon restriction fragment length polymorphisms.

The use of specific cDNA probes and selected combinations of restriction endonucleases makes it possible to characterize specific antigens by the molecular weights of the hybridized restriction enzyme digests of DNA. We have developed a simple program suitable for personal computers which utilizes such results to deduce HLA-DR phenotypes of any nucleated cell from which DNA may be extracted.

Computers↗
PubMed1990

MULCOX: a computer program for the Cox regression analysis of multiple failure time variables.

MULCOX is a user-friendly FORTRAN program for the analysis of regression effects when individual study subjects may experience multiple events or failures. Each marginal distribution of the multivariate failure time variable is formulated by a Cox proportional hazards model. The maximum partial likelihood estimators of the regression parameters in these marginal models are approximately jointly normal. The MULCOX program estimates the marginal models as well as the joint covariance matrix. In addition, it implements several multivariate inference procedures. The program runs on both mainframe computers and microcomputers. The running time is quite acceptable even for large samples. A simple example is provided to illustrate the features of the program.

Mathematical Computing↗
PubMedDate not supplied

[Patho- and neuropsychological monitoring in disorders of psychoneurological development by using testing and computer programs].

The paper outlines the computer-aided testing diagnostic systems used at the Moscow Therapeutical Research Center for Prevention and Treatment of Mental and Nervous Disability. They are based on the complex factorial approach. This approach takes into account the developmental vectors in a child. These include motor, perceptive, intellectual, and communicative vectors. The complex approach makes it possible not only to establish the actual level of development of basic higher mental functions, but to determine treatment-induced developmental changes and prognosis.

Age Factors↗
PubMed1996

A computer program for regression analysis of ordered categorical repeated measurements.

RMORD is an easy-to-use FORTRAN program for the analysis of clustered ordinal data using the method of Stram, Wei, and Ware. This method constitutes an extension of the proportional-odds model to the situation in which groups of responses are correlated. At each measurement occasion, a proportional-odds regression model is fit to the data by maximizing the occasion-specific likelihood function. The joint asymptotic distribution of the occasion-specific regression parameter estimators is obtained along with a consistent estimator of their asymptotic covariance matrix. RMORD may be used when ordinal measurements are obtained at a common set of observation times for multiple subjects or clusters. Both missing data and covariates which vary within clusters can be accommodated. The program can be run on microcomputers, workstations, and mainframe computers. Two examples illustrating the usage and features of RMORD are provided.

Age Distribution↗
PubMed2006

Estimating development cost for a tailored interactive computer program to enhance colorectal cancer screening compliance.

The authors used an actual-work estimate method to estimate the cost of developing a tailored interactive computer education program to improve compliance with colorectal cancer screening guidelines in a large multi-specialty group medical practice. Resource use was prospectively collected from time logs, administrative records, and a design and computing subcontract. Sensitivity analysis was performed to examine the uncertainty of the overhead cost rate and other parameters. The cost of developing the system was Dollars 328,866. The development cost was Dollars 52.79 per patient when amortized over a 7-year period with a cohort of 1,000 persons. About 20% of the cost was incurred in defining the theoretic framework and supporting literature, constructing the variables and survey, and conducting focus groups. About 41% of the cost was for developing the messages, algorithms, and constructing program elements, and the remaining cost was to create and test the computer education program. About 69% of the cost was attributable to personnel expenses. Development cost is rarely estimated but is important for feasibility studies and ex-ante economic evaluations of alternative interventions. The findings from this study may aid decision makers in planning, assessing, budgeting, and pricing development of tailored interactive computer-based interventions.

Colorectal Neoplasms↗
PubMed1999

GEECAT and GEEGOR: computer programs for the analysis of correlated categorical response data.

GEECAT and GEEGOR are two user-friendly SAS macros for the analysis of clustered, correlated categorical response data. Both programs implement methodology which extend the generalized estimating equation (GEE) approach of Liang and Zeger (Biometrika 73 (1986) 13-22). GEECAT and GEEGOR both use a first set of estimating equations to model the marginal response. With GEECAT, either correlated nominal or ordered categorical response data can be analyzed. The program GEEGOR employs a second set of estimating equations to model the association of ordered categorical responses within a cluster using the global odds ratio as a measure of association. The programs run on both mainframe computers and microcomputers. Examples are provided to illustrate the features of both programs.

Antirheumatic Agents↗
PubMed2001

EUDOC: a computer program for identification of drug interaction sites in macromolecules and drug leads from chemical databases.

The completion of the Human Genome Project, the growing effort on proteomics, and the Structural Genomics Initiative have recently intensified the attention being paid to reliable computer docking programs able to identify molecules that can affect the function of a macromolecule through molecular complexation. We report herein an automated computer docking program, EUDOC, for prediction of ligand-receptor complexes from 3D receptor structures, including metalloproteins, and for identification of a subset enriched in drug leads from chemical databases. This program was evaluated from the standpoints of force field and sampling issues using 154 experimentally determined ligand-receptor complexes and four "real-life" applications of the EUDOC program. The results provide evidence for the reliability and accuracy of the EUDOC program. In addition, key principles underlying molecular recognition, and the effects of structural water molecules in the active site and different atomic charge models on docking results are discussed. Copyright 2001 John Wiley & Sons, Inc. J Comput Chem 22: 1750-1771, 2001

Journal Article↗
PubMed1983

Design and pharmacokinetic application of an analog computer program (MULS) for multiple dose simulation.

MULS is a simulation program developed on an analog computer equipped with logic elements. It is designed for multiple dose simulation of commonly encountered dosing schemes: equal or unequal dosing intervals, bolus and/or constant rate drug input, with or without loading dose. Appropriate pharmacokinetic models are defined independently of dosage regimen selection. The program can be used in routine operation for visualization of drug accumulation and optimum dosage regimen. Examples of the program outputs are presented.

Computers↗
PubMed1985

Interactive computer programs for applied nutrition education.

DIET2 and DIET3 are programs written for a Dec2050 computer and intended for teaching applied nutrition to students of nutrition, dietetics, home economics, and hotel and institutional administration. DIET2 combines all the facilities of the separate dietary programs already available at Robert Gordon's Institute of Technology into a single package, and extends these to give students a large amount of relevant information about the nutritional balance of foods (including DHSS and NACNE recommendations) prior to choosing them for meals. Students are also helped by the inclusion of typical portion weights. They are presented with an analysis of nutrients and their balance in the menu created, with an easy mechanism for ammendation of the menu and addition of foods which provide the nutrients that are lacking. At any stage the computer can give the proportion of total nutrient provided by each meal. DIET3 is a relatively simple program that displays the nutritional profile of foods and diets semigraphically.

Computer-Assisted Instruction↗
PubMed1985

An automated visual acuity testing computer program using the Apple II system.

We developed an automated visual acuity testing program that uses an E optotype with surrounding confusion bars. The computer software program runs on Apple II equipment and a black-and-white monitor with a five-inch screen. The program is available in response box and joystick versions. The test is suitable for children older than 31/2 to 4 years of age and for adults. A t-test on the same floppy disk as the visual acuity programs is used to test the probability that the differences in test results are greater than chance. Visual acuities of 20 normal subjects were reduced by means of plus lenses. Test-retest acuity correlation coefficients were similar for letter charts and computer-generated E optotypes, suggesting approximately equal reliability under the test conditions employed. Visual acuities of 12 amblyopic eyes were obtained by a Ferris-type letter chart and computer-generated E optotypes. The correlation coefficient was +0.93, suggesting similar test results by these two methods.

Adult↗
PubMed1994

Medicaid program: computer matching and privacy protection for Medicaid eligibility--HCFA. Final rule.

This final rule revises regulations concerning the income and eligibility verification system (IEVS) under the Medicaid program. It implements provisions of the Computer Matching and Privacy Protection Act of 1988 and the Computer Matching and Privacy Protection Amendments of 1990. These laws improve the oversight and procedures governing the disclosure of personal information used in computer matching programs and protect the privacy and due process rights of individuals whose records are exchanged by these programs.

Centers for Medicare and Medicaid Services, U.S.↗