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Daniel P. Dolata Andrew R. Leach Keith Prout 《Journal of computer-aided molecular design》1987,1(1):73-85
Summary A program which utilizes the techniques of Artificial Intelligence and Expert Systems to solve problems in the area of Conformational Analysis is described. The program searches conformational space in a systematic fashion, based on the technique known as heuristic state-space search. The program proceeds by recognizingconformational units, assigning one or moreconformational templates to each unit, andjoining them to form conformational suggestions. These suggestions arecriticized to discover logical inconsistencies, and any resulting stresses areresolved. The resulting conformational suggestions are sometimes accurate enough for immediate use, or may be further refined by a numerical program. The latter combination is shown to be quite efficient compared to purely numerical conformational search techniques. 相似文献
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Andrew R. Leach Keith Prout Daniel P. Dolata 《Journal of computer-aided molecular design》1990,4(3):271-282
Summary The method of constructing low-energy conformations using template joining can provide an efficient means of searching the conformational space of molecules. The simplest algorithm to perform this task would construct each potential conformation from scratch. However, new algorithms, some of which use techniques from Artificial Intelligence, have been developed which can greatly improve the efficiency of this approach. 相似文献
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The capacity performance of knowledge-based systems differs essentially from the one of traditional systems. The result is that already today these systems are employed in a number of application areas, and that the intensity of research and development in this field is very high.In this paper the development of a knowledge-based manpower planning system (KBMS) is described. The two main components of this system are a knowledge-based system developed for management planning and a model designed for manpower planning in personnel leasing companies. This model was realized as a KBMPS by applying the knowledge-based system, which was developed for management planning. 相似文献
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利用TURBOPROLOG程序设计语言,建立了一个甾体药物薄层色谱分析数据库,收集了中国药典一九九0年版、英国药典一九八八年版及美国药典第二十二版中甾体原料药及其制剂的薄层色谱数据,为甾体药物的薄层色谱分析提供了方便。 相似文献
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