Computers aid vaccine design.
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Algorithms↗
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Results for “computational design”
Search indexed PubMed citations on genomics, clinical trials, systematic reviews and public health. Explore titles, authors and supplied subject terms, then open the PubMed record.
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Development of transportable wheelchair design criteria using computer crash simulation.
The Americans with Disabilities Act (ADA) has led to an increase in disabled travelers, many of whom are unable to transfer to a vehicle seat and are required to use their wheelchair to fulfill this function. ANSI/RESNA is currently developing a transportable wheelchair standard which will identify design requirements and testing methods for wheelchairs suitable for transport. Wheelchair manufacturers should begin to modify their existing design criteria established for a normal mobility function to design criteria appropriate for a transportation function which may subject the wheelchair to large dynamic crash forces. A thorough understanding of the crash environment and its effect on the wheelchair is necessary to insure the safety of the wheelchair user. To assist manufacturers in the design effort, this study uses mathematical crash simulations to evaluate loads imposed upon a wheelchair when subjected to a 48 kph/20 g frontal crash. Using a four-point belt tiedown system to secure the wheelchair, securement point, seat, lap belt anchor, and wheel loads are evaluated under three different securement configurations. Results show that positioning of rear securement points near the wheelchair center of gravity can serve as an effective strategy for managing crash response and loadings on the wheelchair. Force ranges for each of the evaluated parameters, derived for a 50th percentile male using a simulated power wheelchair, are provided for use as a preliminary guide when designing transportable wheelchairs.
Accidents, Traffic↗
The planning of orthopaedic reconstructive surgery using computer-aided simulation and design.
Three-dimensional reconstructions from computed tomographic (CT) images are currently being used clinically in a wide variety of orthopaedic surgical applications. The computer may be used to select the optimum standard artificial joint replacement or to design a custom artificial joint replacement for a particular patient. Where large bony defects exist, the computer may be used to design bone allografts for joint reconstruction and to manufacture models of the bones for use in planning the surgery. In cases where osteotomies are performed to improve the mechanics of the joint, each proposed osteotomy may be simulated on the computer to identify the surgical plan that will optimally normalize the diseased joint.
Adolescent↗
Development of a computer-based battery designed to screen adults for neuropsychological impairment.
The initial step in the development of a new computer-based neuropsychological testing system is described. A new hardware-software system and a screening battery consisting of an orientation task and five cognitive tests has been implemented. This novel screening battery is designed for use in identifying individuals among exposed groups who may require more extensive follow-up neuropsychological evaluation. Sophisticated, but currently available, and relatively inexpensive hardware and software technology are employed, introducing an improvement over existing computer-based batteries. Use of a digitized speech production device for producing instructions facilitates testing of illiterate subjects, use of auditory stimulus materials, and relatively easy translation of the testing instructions to other languages. Use of a pen-based notebook computer enables responding by the subject in a manner that is both natural and analogous to that used in existing paper-and-pencil testing instruments. Five neuropsychological tests were developed to cover a range of cognitive domains: 1) verbal list learning and recognition memory, 2) visual memory span, 3) conceptual and motor tracking, 4) psychomotor speed and accuracy, and 5) delayed verbal recognition. The screening instrument has been pilot-tested for feasibility of use among outpatients at an occupational medicine clinic and among community-dwelling older adults. This instrument is intended to provide a standardized efficient, cost-effective method for widespread use in occupational medicine and public health to detect and track subclinical neurotoxic effects and to prevent additional harmful exposure. Additional aspects of development of the computer-based testing system are discussed.
Adult↗
An alternative technique for the computation of the designator in the retinex theory of color vision.
Accepting the first postulate of the retinex theory of color vision that there are three independent lightness-determining mechanisms (one for long waves, one for middle waves, and one for short waves), each operative with less than a millisecond exposure and each served by its own retinal pigment, a basic task of retinex theory becomes the determination of the nature of these mechanisms. Earlier references proposed several workable algorithms. [Land, E. H. (1959) Proc. Natl. Acad. Sci. USA 45, 115-129; Land, E. H. (1959) Proc. Natl. Acad. Sci. USA 45, 636-644; Land, E. H. (1983) Proc. Natl. Acad. Sci. USA 80, 5163-5169; Land, E. H. & McCann, J. J. (1971) J. Opt. Soc. Am. 61, 1-11; Land, E. H. (1986) Vision Res. 26, 7-21.] The present paper describes a relatively simple alternative technique for the computation of the designator in retinex theory and reports the general operational effectiveness of the new technique, including the competence, not possessed by earlier algorithms, for generating Mach bands.
Color Perception↗
Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals.
The concept of atom-based quadratic indices is extended to a series of molecular descriptors (MDs) (both total and local) based on adjacency between edges. The kth edge-adjacency matrix (E ( k )) denotes the matrix of bond-based quadratic indices (non-stochastic) with respect to the canonical basis set. The kth "stochastic" edge-adjacency matrix, ES ( k ), is here proposed as a new molecular representation easily calculated from E ( k ). Then, the kth stochastic bond-based quadratic indices are calculated using ES ( k ) as operators of quadratic transformations. The study of six representative physicochemical properties of octane isomers was used to compare the ability of both series of MDs to produce significant quantitative structure-property relationship (QSPR) models. Moreover, the general performance of the new MDs in this QSPR study has been evaluated with respect to other 2D/3D well-known sets of indices and the obtained results shown a quite satisfactory behavior of the present method. The novel bond-level MDs were also used for the description and prediction of the boiling point of 28 alkyl-alcohols and to the modeling of the specific rate constant (log k) of 34 derivatives of 2-furylethylenes. These models were statistically significant and showed very good stability to data variation in leave-one-out (LOO) cross-validation experiment. The comparison with other approaches (edge- and vertices-based connectivity indices, total and local spectral moments, and quantum chemical descriptors as well as E-state/biomolecular encounter parameters) expose a good behavior of our method in this QSPR studies. The approach described in this report appears to be a very promising structural invariant, useful for QSPR/QSAR studies, similarity/diversity analysis, and computer-aided "rational" molecular (drug) design.
Chemical Phenomena↗
Moving library design into the computer age.
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Architecture↗
Computerized manufacturing of transparent face masks for the treatment of facial scarring.
In this work an integrated system of computer-aided design and computer-aided manufacturing specifically designed to fabricate affordable transparent face masks is discussed. FaceScan, a custom-designed software system, integrates shape capture, mask design, and pattern fabrication. The software controls a linear scan noncontact laser imager for facial topography acquisition and a milling machine for pattern fabrication. Compared with conventional methods of mask fabrication, this system is faster, more accurate, and less stressful for the patient and allows for greater control of the finished product. Masks for two subjects have been successfully fabricated using this system.
Burns↗
The use of computer-generated bivariate charts in anthropometric design.
The design of workspaces and consumer products using the bivariate approach is an important, but cumbersome process because of the general unavailability of the proper bivariate charts and the calculations required. This paper presents a simplified method for bivariate anthropometric design using computer generated charts. These charts are created based on the assumption that the appropriate anthropometric data can be adequately represented by the bivariate normal distribution. Four basic bivariate design types are chosen for the study and the ability to derive other types from them is detailed. This paper presents the necessary charts and tables for quick and easy reference in order to determine cutoffs based on the simplifying assumption that the bivariate target percentage will be met by using either equal or complementary univariate cutoff values for each variable as determined by the design problem. Examples show how to use the charts and tables for different design types.
Journal Article↗
Hardware design for the computation of heart rate variability.
The decrease in heart rate variability is an indication of abnormal heart function. Proposed here is a hardware design of a standalone system that calculates and evaluates heart rate variability, distinguishing healthy from unhealthy subjects. Previous approaches are mostly based on the fast Fourier transform and the power spectral analysis. Described is an alternative approach thatfollows a recently proposed idea: the analysis of heart rate signals with the use of wavelets. The proposed system follows simple gated architecture and is composed offour main units: a processing unit that prepares the input signal for analysis, a unit that manages control signals, the wavelet computation unit and the wavelet coefficient evaluation unit. The hardware design is cost-effective, simple and easy to implement. Experimental results proved that this system is efficient and produces a clean and accurate separation between the healthy and unhealthy groups of patients for the first nine scales of wavelet analysis.
Analysis of Variance↗
Application of computer-based experimental design to optimization of processing conditions for perfluorocarbon emulsion.
Response surface methodology was applied during process optimization of a parenteral emulsion formulation containing perfluorocarbon (PFC). E-Chip, a computer software program, was used to design and analyze the optimization experiments. The levels of eight process variables of interest were varied: pre-emulsification temperature and mixing time, mixer speed, generator type, rate of PFC addition, homogenization temperature, pressure and number of passes. Dependent variables evaluated included emulsion median diameter, viscosity and percent unemulsified PFC. A predictive model describing the relationship between the dependent and process variables was developed. Median diameter of the emulsion was affected significantly by homogenization temperature and pressure, and marginally by the rate of addition of the PFC. Viscosity was not influenced by any of the process variables. Percent unemulsified PFC was slightly influenced by the number of homogenization passes. The model was then used to set optimum process conditions.
Blood Substitutes↗
Computational approaches to structure-based ligand design.
The first computational structure-based drug design methods came into existence in the early 1980s and are, to an extent, still in their infancy. There have been a few successes to date. With dramatic increases in computer speed, improved accuracy in ligand scoring functions, and the advent of combinatorial chemistry, there promises to be many more. In addition, the virtual explosion in the amount of available sequence and structural information has increased the need to develop these computational techniques to exploit this vast body of information. In this review, recent advances in computational methods for database searching and docking, de novo drug design, and estimation of ligand binding affinities are discussed.
Combinatorial Chemistry Techniques↗
Computer-assisted molecular design for the determination of structure-activity relationships for chemopreventive agents.
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Antineoplastic Agents↗
Mprobe 2.0: computer-aided probe design for oligonucleotide microarray.
UNLABELLED: DNA chips have proven to be effective tools in detecting gene expression levels. Compared with DNA chips using complementary DNA as probes, oligonucleotide microarrays using oligonucleotides as probes have attracted great attention because of their well known advantages. The design of gene-specific probes for each target is essential to the development of oligonucleotide microarrays. We have previously reported the development of a probe design software termed Mprobe 1.0. Here, we present a new version of this software, termed Mprobe 2.0. Several new features are included in Mprobe 2.0. Firstly, a paradox-based sequence database management system has been developed and integrated into the software, which consequently allows interoperability with sequences in GenBank, EMBL, and FASTA formats. Secondly, in contrast to setting a fixed threshold for the secondary structure of probes in Mprobe 1.0 and other related software, Mprobe 2.0 employs a different method. After parameters such as GC type, probe melting temperature and GC contents have been evaluated, candidate probes are sorted by the free energy from high to low value, followed by specificity analysis. Thirdly, Mprobe 2.0 provides users with substantial parameter options in the visual mode. Mprobe 2.0 possesses an easier interface for users to manage sequences annotated in different formats and design the optimal probes for oligonucleotide microarrays and other applications. AVAILABILITY: The program is free for non-commercial users and can be downloaded from the web page http://www.biosun.org.cn/mprobe/ CONTACT: Wuju Li (wujuli@yahoo.com or liwj@nic.bmi.ac.cn).
Algorithms↗
Design and development of a comprehensive computer system for radiotherapy departments.
An analysis of computer requirements in radiation therapy departments is presented. The performance and structure of an effective computer system designed for large or small radiotherapy departments are described. The system is composed of two or three sets of minicomputer-based subsystems of which can be operated alone or connected to other subsystems. The size of the system can be adjusted to the size of the radiotherapy department. The system covers treatment planning, automatic control, and record processing.
Computers↗
Virtual computational chemistry laboratory--design and description.
Internet technology offers an excellent opportunity for the development of tools by the cooperative effort of various groups and institutions. We have developed a multi-platform software system, Virtual Computational Chemistry Laboratory, http://www.vcclab.org, allowing the computational chemist to perform a comprehensive series of molecular indices/properties calculations and data analysis. The implemented software is based on a three-tier architecture that is one of the standard technologies to provide client-server services on the Internet. The developed software includes several popular programs, including the indices generation program, DRAGON, a 3D structure generator, CORINA, a program to predict lipophilicity and aqueous solubility of chemicals, ALOGPS and others. All these programs are running at the host institutes located in five countries over Europe. In this article we review the main features and statistics of the developed system that can be used as a prototype for academic and industry models.
Computer Simulation↗
Computer-aided drug design for the benzodiazepine receptor site.
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Animals↗
A set of Macintosh computer programs for the design and analysis of synthetic genes.
Computer programs that can be used for the design of synthetic genes and that are run on an Apple Macintosh computer are described. These programs determine nucleic acid sequences encoding amino acid sequences. They select DNA sequences based on codon usage as specified by the user, and determine the placement of base changes that can be used to create restriction enzyme sites without altering the amino acid sequence. A new algorithm for finding restriction sites by translating the restriction endonuclease target sequence in all three reading frames and then searching the given peptide or protein amino acid sequence with these short restriction enzyme peptide sequences is described. Examples are given for the creation of synthetic DNA sequences for the bovine prethrombin-2 and ribonuclease A genes.
Algorithms↗