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PubMed2000

Molecular modeling and computer aided drug design. Examples of their applications in medicinal chemistry.

The development of new drugs with potential therapeutic applications is one of the most complex and difficult process in the pharmaceutical industry. Millions of dollars and man-hours are devoted to the discovery of new therapeutical agents. As, the activity of a drug is the result of a multitude of factors such as bioavailability, toxicity and metabolism, rational drug design has been utopias for centuries. Very recently, impressive technological advances in areas such as structural characterization of biomacromolecules, computer sciences and molecular biology have made rational drug design feasible. The aim of this review is to give an outline of studies in the field of medicinal chemistry in which molecular modeling has helped in the discovery process of new drugs. The emphasis will be on lead generation and optimization.

Computer-Aided Design↗
PubMed1999

A hypergraphic model of medical informatics: curriculum development guide.

Medical informatics, as a descriptive, scientific study, must be mathematically or theoretically described. Is it important to define a model for medical informatics? The answer is worth pursuing. The medical informatics profession stands to benefit three-fold: first, by clarifying the vagueness of the definition of medical informatics, secondly, by identifying the scope and content for educational programs, and, thirdly, by defining career opportunities for its graduates. Existing medical informatics curricula are not comparable. Consequently, the knowledge and skills of graduates from these programs are difficult to assess. The challenge is to promote academics that develops graduates for prospective employers to fulfill the criteria of the health care industry and, simultaneously, compete with computer science programs that produce information technology graduates. In order to meet this challenge, medical informatics programs must have unique curricula that distinguishes its graduates. The solution is to educate students in a comparable manner across the domain of medical informatics. This paper discusses a theoretical model for medical informatics.

Computers↗
PubMed1990

Fourier methods for biosequence analysis.

Novel methods are discussed for using fast Fourier transforms for DNA or protein sequence comparison. These methods are also intended as a contribution to the more general computer science problem of text search. These methods extend the capabilities of previous FFT methods and show that these methods are capable of considerable refinement. In particular, novel methods are given which (1) enable the detection of clusters of matching letters, (2) facilitate the insertion of gaps to enhance sequence similarity, and (3) accommodate to varying densities of letters in the input sequences. These methods use Fourier analysis in two distinct ways. (1) Fast Fourier transforms are used to facilitate rapid computation. (2) Fourier expansions are used to form an 'image' of the sequence comparison.

Amino Acid Sequence↗
PubMed1994

Survey on the use of information sources in the field of aging.

This article presents the results of a survey conducted over the summer of 1992 on the use of information sources by professionals in the field of aging. In particular, factors affecting the use of electronic information sources were investigated. The data provide a demographic profile of North American gerontologists, with a predictably wide range of disciplines and types of practice represented. Several factors were found to have an impact on the gerontologists' utilization of electronic information sources. Respondents who used a larger-than-average number of computer applications were found to make relatively more use of electronic sources, including online searches, CD-ROM indexes, library OPACs, and other databases searched by remote access. Attendance at library workshops was found to increase the amount of end-user searching but not the amount of library-mediated searching. Respondents also reported which databases they used and which they considered most important. MEDLINE was the most frequently mentioned database across all disciplines, including the health and social sciences. Computer databases were ranked least important out of six listed sources of information, and only 5% of respondents reported having used an electronic current awareness profile.

Aging↗
PubMed1999

[How do physicians evaluate their medical school training. Retrospective survey of 4 groups of medical students 8-11 years after graduation].

A survey was conducted among 250 graduates of the Bobigny School of Medicine (University Paris-Nord) who had completed medical school from 1986 to 1989 in order to ascertain their opinion concerning the training received. Ninety former students (36%) responded. The mean age of the sample was 34 years; 46 women and 44 men. Most (88.9%) were practicing medicine, principally as general practitioners (61.8%). 81.6% felt they had been well prepared to practice medicine. The rate of satisfaction was higher in the area of fundamental science than in clinical science. The responders generally felt that teaching and validation methods should emphasize real situations. The main criticism concerning the curriculum was an insufficient degree of professionalism, particularly in fields currently of particular importance: epide miology, health economics, education, prevention, office management. Training was also considered to be insufficient in medical techniques, communication, priority decision making, team work, emergency care, organization of time and handling stress. The responders suggested that the future curriculum should focus more on information search, research methodology and computer science. The results of this survey collaborate findings of recent retrospective long-term analyses conducted in other European countries.

Education, Medical, Continuing↗
PubMed2004

Artificial neural network technologies to identify biomarkers for therapeutic intervention.

High-throughput technologies such as DNA/RNA microarrays, mass spectrometry and protein chips are creating unprecedented opportunities to accelerate towards the understanding of living systems and the identification of target genes and pathways for drug development and therapeutic intervention. However, the increasing volumes of data generated by molecular profiling experiments pose formidable challenges to investigate an overwhelming mass of information and turn it into predictive, deployable markers. Advanced biostatistics and machine learning methods from computer science have been applied to analyze and correlate numerical values of profiling intensities to physiological states. This article reviews the application of artificial neural networks, an information-processing tool, to the identification of sets of diagnostic/prognostic biomarkers from high-throughput profiling data.

Animals↗
PubMed1996

[Medical imaging and computer-assisted interventions].

Computer science can assist the physician or the surgeon in defining an optimal strategy for an intervention, and then in performing it. This implies introducing new sensors, then processing all the data gathered about the patient, and finally operating systems for guidance of the very act of intervention.

Diagnostic Imaging↗
PubMed2002

Validation and calibration of physical activity monitors in children.

OBJECTIVE: This study was designed to validate accelerometer-based activity monitors against energy expenditure (EE) in children; to compare monitor placement sites; to field-test the monitors; and to establish sedentary, light, moderate, and vigorous threshold counts. RESEARCH METHODS AND PROCEDURES: Computer Science and Applications Actigraph (CSA) and Mini-Mitter Actiwatch (MM) monitors, on the hip or lower leg, were validated and calibrated against 6-hour EE measurements by room respiration calorimetry, activity by microwave detector, and heart rate by telemetry in 26 children, 6 to 16 years old. During the 6 hours, the children performed structured activities, including resting metabolic rate (RMR), Nintendo, arts and crafts, aerobic warm-up, Tae Bo, treadmill walking and running, and games. Activity energy expenditure (AEE) computed as EE - RMR was regressed against counts to derive threshold counts. RESULTS: The mean correlations between EE or AEE and counts were slightly higher for MM-hip (r = 0.78 +/- 0.06) and MM-leg (r = 0.80 +/- 0.05) than CSA-hip (r = 0.66 +/- 0.08) and CSA-leg (r = 0.73 +/- 0.07). CSA and MM performed similarly on the hip (inter-instrument r = 0.88) and on the lower leg (inter-instrument r = 0.89). Threshold counts for the CSA-hip were <800, <3200, <8200, and > or = 8200 for sedentary, light, moderate, and vigorous categories, respectively. For the MM-hip, the threshold counts were <100, <900, <2200, and > or = 2200, respectively. DISCUSSION: The validation of the CSA and MM monitors against AEE and their calibration for sedentary, light, moderate, and vigorous thresholds certify these monitors as valid, useful devices for the assessment of physical activity in children.

Adolescent↗
PubMed2005

Toward a theory of evolutionary computation.

We outline a theory of evolutionary computation using a formal model of evolutionary computation--the Evolutionary Turing Machine--which is introduced as the extension of the Turing Machine model. Evolutionary Turing Machines provide a better and a more complete model for evolutionary computing than conventional Turing Machines, algorithms, and Markov chains. The convergence and convergence rate are defined and investigated in terms of this new model. The sufficient conditions needed for the completeness and optimality of evolutionary search are investigated. In particular, the notion of the total optimality as an instance of the multiobjective optimization of the Universal Evolutionary Turing Machine is introduced. This provides an automatic way to deal with the intractability of evolutionary search by optimizing the quality of solutions and search costs simultaneously. Based on a new model a very flexible classification of optimization problem hardness for the evolutionary techniques is proposed. The expressiveness of evolutionary computation is investigated. We show that the problem of the best evolutionary algorithm is undecidable independently of whether the fitness function is time dependent or fixed. It is demonstrated that the evolutionary computation paradigm is more expressive than Turing Machines, and thus the conventional computer science based on them. We show that an Evolutionary Turing Machine is able to solve nonalgorithmically the halting problem of the Universal Turing Machine and, asymptotically, the best evolutionary algorithm problem. In other words, the best evolutionary algorithm does not exist, but it can be potentially indefinitely approximated using evolutionary techniques.

Algorithms↗
PubMed2003

Graphic-based musculoskeletal model for biomechanical analyses and animation.

The ability to combine physiology and engineering analyses with computer sciences has opened the door to the possibility of creating the 'Virtual Human' reality. This paper presents a broad foundation for a full-featured biomechanical simulator for the human musculoskeletal system physiology. This simulation technology unites the expertise in biomechanical analysis and graphic modeling to investigate joint and connective tissue mechanics at the structural level and to visualize the results in both static and animated forms together with the model. Adaptable anatomical models including prosthetic implants and fracture fixation devices and a robust computational infrastructure for static, kinematic, kinetic, and stress analyses under varying boundary and loading conditions are incorporated on a common platform, the VIMS (Virtual Interactive Musculoskeletal System). Within this software system, a manageable database containing long bone dimensions, connective tissue material properties and a library of skeletal joint system functional activities and loading conditions are also available and they can easily be modified, updated and expanded. Application software is also available to allow end-users to perform biomechanical analyses interactively. This paper details the design, capabilities, and features of the VIMS development at Johns Hopkins University, an effort possible only through academic and commercial collaborations. Examples using these models and the computational algorithms in a virtual laboratory environment are used to demonstrate the utility of this unique database and simulation technology. This integrated system will impact on medical education, basic research, device development and application, and clinical patient care related to musculoskeletal diseases, trauma, and rehabilitation.

Algorithms↗
PubMed2006

Using literature and innovative assessments to ignite interest and cultivate critical thinking skills in an undergraduate neuroscience course.

Science education reform initiatives emphasize 1) the value of concepts over facts; 2) the benefits of open-ended, inquiry-based problem-solving rather than protocols leading to a single correct answer; and 3) the importance of a multidisciplinary approach to teaching that is not confined by departmental boundaries. Neuroscientists should be at the forefront of this movement by the very nature of the discipline we study. Neuroscience is a relatively new field that integrates diverse subjects (anatomy, physiology, pharmacology, molecular biology, computer science, and psychology) and experimental advances are constantly changing and expanding our understanding of brain function. How can we convey this excitement in the classroom? The project described in this article uses nonscientific literature to introduce a scientific topic of study. In addition, the multitask assignment requires the acquisition of content knowledge and the development of critical thinking skills. As students explore the topic from multiple perspectives, they recognize the interconnectedness of science and society and confront ethical and moral issues related to science. A comparison of exam scores, essay responses, engagement level, as well as students' own reflections, demonstrates that inclusion of the project does not sacrifice content knowledge, rather it enhances the overall learning process.

Adult↗
PubMedDate not supplied

[Development and evaluation of an educational software for pediatric nursing education].

Computer Science is being introduced in education at an accelerated pace, thus forcing educators and students to become familiarized with such technology. This study aimed at the development and evaluation of the educational software "Children and medication". The program utilizes multimedia resources in four topics: the child, medication, the person who administers and administration of medication. The evaluation showed a large acceptance of the program, with most of the items being rated as excellent. We emphasize the importance of the development of teaching strategies utilizing computer resources in nursing education and in the development of nurses for the new millenium.

Evaluation Studies as Topic↗
PubMed1986

Computer corner #15. The AAOS: request for computer system proposal.

The Committee on Computer Science and Practice Management of the American Academy of Orthopaedic Surgeons has provided an excellent format to ensure a happy relationship between the vendor and the orthopaedic office using this package. Problems in communication and understanding between the vendor and the orthopaedic surgeon will undoubtedly be significantly reduced. How the system will work is the vendor's problem, but what you want it to do for you is your problem, and both of these issues are addressed in these questionnaires. It is recommended in the computer package that three vendor proposals be invited. Since the most frequent cause of computer problems is improper evaluation of what functions the computer system must perform in order to meet the needs of the orthopaedic office, this series of questionnaires is important. In addition to recommending this computer package, I would also emphasize that if at all possible--in spite of what may appear to be an excellent system on paper--try to visit an office in which the system has been in use over the past six to 12 months.

Humans↗
PubMed1998

Process modelling and simulation for managing clinical care in the community.

'Care in the Community' is an easy catch phrase but a difficult goal. It is a phrase that addresses a current growth area within health care, and one that comes complete with an impressive array of political, economic and social factors that would seem to support the notion of a continuing trend. Technology, specifically information systems, however, has not been successfully cast in a supporting role. There are many reasons for this lack of success but a major one is the mismatch between the understanding of what is required to support the clinical care processes and the specifications of the current systems supplied. Specifically the interest here is in the use and assessment of two computer science techniques, i.e. process modelling and simulation, as suitable means of capturing and communicating requirements so as to bridge the divided and power differential between users and developers of information systems.

Community Health Nursing↗
PubMed2006

Validity of a physical activity computer questionnaire in 12- to 18-year-old boys and girls.

The reliability and validity of a physical activity computer questionnaire of a usual week were studied in 33 adolescents between 12 and 18 years of age. Intraclass correlation coefficients and Kappa values were calculated to verify test-retest reliability. Validity was investigated by calculating Pearson correlation coefficients between the questionnaire and the Computer Science and Applications uniaxial accelerometer (CSA). Accelerometer data were obtained during seven successive days (sum and mean counts, estimated MET). Intraclass coefficients generally exceeded 0.70 and all Kappa values but one varied between 0.44 and 1.00. Transport variables (active transport from and to school, and during leisure time) showed no relationship with CSA. Sport participation during leisure time, sport participation summed with total transport, and the frequencies of moderate and hard activity were significantly correlated with CSA (r between 0.48 and 0.78). These data indicate that the physical activity computer variables provide reliable information. Moreover, sport participation (and summed with total transport) and the frequencies of moderate and hard activity provide valid data about adolescents' usual week physical activity, based on CSA comparison.

Adolescent↗
PubMed2004

The evolution and future of minimalism in neurological surgery.

INTRODUCTION: The evolution of the field of neurological surgery has been marked by a progressive minimalism. This has been evident in the development of an entire arsenal of modern neurosurgical enterprises, including microneurosurgery, neuroendoscopy, stereotactic neurosurgery, endovascular techniques, radiosurgical systems, intraoperative and navigational devices, and in the last decade, cellular and molecular adjuvants. AIMS: In addition to reviewing the major developments and paradigm shifts in the cyclic reinvention of the field as it currently stands, this paper attempts to identify forces and developments that are likely to fuel the irresistible escalation of minimalism into the future. These forces include discoveries in computational science, imaging, molecular science, biomedical engineering, and information processing as they relate to the theme of minimalism. DISCUSSION: These areas are explained in the light of future possibilities offered by the emerging field of nanotechnology with molecular engineering.

Biomedical Engineering↗
PubMedDate not supplied

The child and the medication: education software on administering medication in pediatrics.

Computer science is being introduced in education at an accelerated pace, thus forcing educators and students to become familiar with the technology. The objective of this project was aimed at the development and evaluation of the education software, The Child and the Medication. The program uses multimedia resources in four topics: the child, the medication, who administers it, and medication administration. The evaluation showed good acceptance of the program, with most of the items receiving excellent approval. The emphasis in this report is on the importance of teaching strategy development using computational means to teach nursing, thus capacitating the nurses of the next millennium.

Child↗
PubMed2002

Imaging and the Human Brain Project: a review.

OBJECTIVES: Survey current work primarily funded by the US Human Brain Project (HBP) that involves substantial use of images. Organize this work around a framework based on the physical organization of the body. METHODS: Pointers to individual research efforts were obtained through the HBP home page as well as personal contracts from HBP annual meetings. References from these sources were followed to find closely related work. The individual research efforts were then studied and characterized. RESULTS: The subject of the review is the intersection of neuroinformatics (information about the brain), imaging informatics (information about images), and structural informatics (information about the physical structure of the body). Of the 30 funded projects currently listed on the HBP web site, at least 22 make heavy use of images. These projects are described in terms of broad categories of structural imaging, functional imaging, and image-based brain information systems. CONCLUSIONS: Understanding the most complex entity known (the brain) gives rise to many interesting and difficult problems in informatics and computer science. Although much progress has been made by HBP and other neuroinformatics researchers, a great many problems remain that will require substantial informatics research efforts. Thus, the HPB can and should be seen as an excellent driving application area for biomedical informatics research.

Brain↗