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Structure design: an artificial intelligence-based method for the design of molecules under geometrical constraints.

This study presents an algorithm that implements artificial-intelligence techniques for automated, and site-directed drug design. The aim of the method is to link two or more predetermined functional groups into a sensible molecular structure. The proposed designing process mimics the classical manual design method, in which the drug designer sits in front of the computer screen and with the aid of computer graphics attempts to design the new drug. Therefore, the key principle of the algorithm is the parameterization of some criteria that affect the decision-making process carried out by the drug designer. This parameterization is based on the generation of weighting factors that reflect the knowledge and knowledge-based intuition of the drug designer, and thus add further rationalization to the drug design process. The proposed algorithm has been shown to yield a large variety of different structures, of which the drug designer may choose the most sensible. Performance tests indicate that with the proper set of parameters, the method generates a new structure within a short time.

Algorithms

A simple computerized tomography adapter for conventional stereotactic frame.

This paper introduces a new technique to convert a conventional Leksell stereotactic frame into a computerized tomography compatible system. Accurate calculation of the tumour coordinates can be made by means of two adapter plates with double diagonal lines on each side thus obviating the requirement of careful alignment of the scanner. The adapter plates are of simple design and easy to prepare.

Brain Diseases

A microcomputer-based information management system for a nurse-managed clinic.

A project team from a nurse-managed health care center designed and used a microcomputer-based information management system to document the activities of their clinic. Commercial software, dBase III Plus, was used to program the system, called Nurse Education Link to Aged Center (NELAC). NELAC reflects the center's philosophy of helping clients attain maximum satisfaction of their health care needs through self care. NELAC's specific purposes include 1) matching student nurses with potential clients for clinical experiences; 2) providing an efficient reminder system to improve follow-up care for clients; 3) maintaining longitudinal client records; 4) producing reports of services and activities of the center; and 5) providing aggregate data for research.

Database Management Systems

Automatic karyotyping of plant chromosomes by imaging techniques.

Chromosomes of Crepis capillaris (L.) Wallr. were analyzed using a newly developed chromosome image analyzing system, CHIAS-mini. The CHIAS-mini is a desktop system which consists of an ordinary 16-bit personal computer and an image processor as the main frames. Data acquisition, karyotyping and idiogramming of the plant chromosomes were automatically carried out with some manual interaction. The data obtained were comparable to those obtained manually and by a standard image analyzer already developed.

Computers, Mainframe

Activities of and time spent by the project dietitian in implementing a custom-designed decision support system for a computer.

Part 1 of this study involved development and implementation of a prototype of Interactive Foodservice Decision Assist Methods (IFDAM) software. A 1-day menu from the Health Center of Methodist Health Services, Inc., which included 161 menu items and 181 ingredients, composed the data base. The prototype was used to test transfer procedures from the mainframe computer at the university to the one at the hospital and to test the program and train users. Three supporting documents were written. The Procedure Manual described methodology for data collection and use of IFDAM at the Health Center. The Data-Entry Manual explained the use of the microcomputer for entering information into IFDAM. The User Manual illustrated the command structure of IFDAM. Part 2 of the study included the addition of data from five cost centers, which were serviced from the central production facility of the Health Center. Six-week-cycle menus and all ingredient files in the foodservice were incorporated into the data base. The data totaled 998 menu items and 660 ingredients. Time spent by the project dietitian on development of data bases and support manuals, completion of data forms, data entry and transfer, conferences, and training totaled 362.10 hours and 898.75 hours in Parts 1 and 2, respectively. The project required 30 months to complete. Problems, classified as equipment, program, or personnel, delayed implementation.

Data Collection

Clinicians' satisfaction with Grateful Med: an exploratory study.

End-user search software is designed to simplify online searching for the casual searcher. User-friendly features provide relatively easy online access to remote databases without the need for expert search systems. At issue is whether the simplified features of such software compromise what is potentially retrievable, and if so, whether the missing information is critical to the end user. A study was designed to address this question, particularly as applied to clinicians using a user-friendly search software package such as Grateful Med. Clinician participants compared their Grateful Med search results with a full Elhill search (as performed by an intermediary) and indicated whether references unique to either search were or were not critical to their information needs.

Consumer Behavior

Metaparadigm: a soft and situation oriented MIS design approach.

Every-day routine work performed by medical staff can be enormous, thus continuing education, diagnostic assistance, medical research or literature searches remains only an aspiration for them. The appearance of the computer-based information technology has initiated the possibility to significantly ease these routine activities and enable the medical staff to devote more time to enhanced creative work. However, only when medical staff can use computers reliably, effectively, democratically, easily, and in natural, intuitive fashion, medical information system (MIS) will be used enthusiastically and favourably. In that manner special attention must be dedicated to MIS design. The aim of our paper is to introduce the new (M)IS design approach called metaparadigm and show its applicability to MIS design. A metaparadigm is a holistic, participative and systemic approach, incorporating design activities needed to construct both the (M)IS design paradigm and the selected (M)IS. It is our deepest belief that metaparadigms employment can enhance many IS design weaknesses and result in the successful medical information systems design and use.

Computer Simulation

Automated analysis of prerecorded evoked electromyographic activity from rat muscle.

An automated microprocessor-based data acquisition and analysis system has been developed specifically to quantify electromyographic (EMG) activity induced by the convulsant agent catechol in the anaesthetized rat. The stimulus and EMG response are recorded on magnetic tape. On playback, the stimulus triggers a digital oscilloscope and, via interface circuitry, a BBC B microcomputer. The myoelectric activity is digitized by the oscilloscope before being transferred under computer control via a RS232 link to the microcomputer. This system overcomes the problems of dealing with signals of variable latency and allows quantification of latency, amplitude, area and frequency of occurrence of specific components within the signal. The captured data can be used to generate either signal or superimposed high resolution graphic reproductions of the original waveforms. Although this system has been designed for a specific application, it could easily be modified to allow analysis of any complex waveform.

Animals

An 8086-based Holter arrhythmia monitor.

Holter monitoring is a technique which involves the use of a specialized recorder to record and analyze the ECG of an ambulatory subject for a duration up to 24 h. It is used for persons who have generally normal ECG, but who experience heart disorders under some particular stress conditions. This paper describes the design of an 8086-based Holter monitor using state-of-the-art technology. The old concept of analog signal processing and cassette recording has been replaced by digital signal processing and solid state memories. The main features of the new monitor, as compared with conventional ones, is its intelligence to detect and record arrhythmias which are of clinical importance. Emphasis was placed on miniaturization and minimization of the power consumption while designing the monitor.

Algorithms

Low-cost digital impedance meter for the detection of micro-organisms.

The digital impedance meter is a microprocessor-based instrument able to detect, quantify and identify micro-organisms. The equipment makes use of the bipolar technique of measuring the impedance modulus of six cells containing inoculated culture broth. It performs temperature compensation automatically. Growth curves are stored in memory as time course events and can be displayed on any suitable device.

Calibration

An artificial neural network for lesion detection on single-photon emission computed tomographic images.

RATIONALE AND OBJECTIVES: An artificial neural network (ANN) has been developed to detect nonactive circular lesions on single-slice, single-photon emission computed tomographic (SPECT) images reconstructed using filtered back projection (FBP). METHODS: The neural network is a single-layer perception which learns to identify features on the SPECT image using supervised training with a modified delta rule. The network was trained on a set of SPECT images containing clinically realistic levels of noise. The trained network was applied to a set of 120 images, and the detection performance was evaluated at several decision thresholds using receiver operating characteristic (ROC) analysis. RESULTS: The trained neural network performed better than human observers for the same detection task with the same images as reflected by a significantly larger ROC curve area. CONCLUSIONS: ANN can be trained successfully to perform lesion detection on reconstructed SPECT images.

Equipment Design

Assistant programming software: a new tool for an improved programming of pacemakers.

Programming the new DDD pacemakers is becoming increasingly difficult. One must take into account the pacemaker's complexity, the fact that some parameters are linked to others, and the clinical profile of the patient. This difficult problem will lead to the design of software to assist programming, which will help the implanting physicians in choosing adequate programmed settings adapted to the functioning of the device and to the physiology and pathology of the patient. These programming aides should meet certain basic requirements to make them safe, efficient, and easy to use. One such system designed by ELA Médical, "Programming Assistant" is herein described. The preliminary results of an initial study on the acceptance of this programming aide among physicians involved in cardiac pacing are given and discussed.

Adult

Laser assessment of leaflet closing motion in prosthetic heart valves.

The dynamics of leaflet motion in heart valve prostheses (HVP), and in particular the closing velocity, is believed to be related to the valve sound and possibly to the phenomenon of valve cavitation. This paper describes a non-intrusive laser sweeping technique enabling the study of leaflet motion. The principle of measurement and the equipment involved are presented, together with the results of two commercially available, 29 mm bileaflet mitral valves, a St. Jude Medical, and an Edwards Duromedic valve. Experiments were carried out in a pulsatile mock flow testing loop designed to mimic physiological pressure waveforms and ventricular contraction. Measurements of heart rate were made in the range 70-120 beats min-1, with a ventricular pressure slope range of 1800-5600 mm Hgs-1 and a cardiac output range of 5.0-7.5 litres min-1. Motion analysis of the measured data focuses on the velocity of the leaflet immediately before closure.

Equipment Design

A system for quantitative analysis of associative learning. Part 2. Real-time software for MS-DOS microcomputers.

Microcomputer software was designed and used to control the timing and delivery of sensory stimuli and to acquire and analyze behavioral data during classical conditioning experiments. The software package runs under DOS 4.x through 6.x (earlier versions run under DOS 3.x) on PC AT-compatible microcomputers coupled with appropriate interface hardware (see Thompson et al., 1994). The software controls timed delivery of up to 8 conditional stimuli. It can collect behavioral data from 2 subjects simultaneously performing the same task (e.g., eyeblink responses) or from a single subject performing 2 different tasks (e.g., both eyeblink and conditional discrimination tasks), permitting its use in a number of experimental paradigms. Digital timing signals are adjustable for different stimulus output systems. Behavior is continuously monitored onscreen, ensuring consistent measurement across trials. Real-time performance measures of the presence or absence of conditioned responses allow coordination with external events (e.g., serum sampling, drug delivery, or single-unit recording). Quantitative measures are generated both for each trial and for complete sessions. Records are stored to disk and can be printed or merged for statistical analyses. Data can be archived on standard media, and internal software utilities translate files for export to PC and Macintosh programs. This system and the hardware described in the preceding paper combine ease of use with extremely replicable behavioral measurements across trials, sessions subjects, cohorts, and studies.

Animals

A computerized kidney donorship register.

In the UK a university department in conjunction with UK charities and hospitals has formed the basis of a computerized opting in kidney donorship register. The system operates on a VAX 8250, with local hospitals using terminal-emulating micros and PCs. The justification for such a system and its design and implementation are described.

Computer Communication Networks