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Intelligent Aids for Parallel Experiment Planning and Macromolecular Crystallization

机译:平行实验规划和大分子结晶的智能辅助工具

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This paper presents a framework called Parallel Experiment Planning (PEP) that is based on an abstraction of how experiments are performed in the domain of macromolecular crystallization. The goal in this domain is to obtain a good quality crystal of a protein or other macromolecule that can be X-ray diffracted to determine three-dimensional structure. This domain presents problems encountered in real-world situations, such as a parallel and dynamic environment, insufficient resources and expensive tasks. The PEP framework comprises of tow types of components: (1) an information management system for keeping track of sets of experiments, resources and costs; and (2) knowledge-based methods for providing intelligent assistance to decision-making. The significance of the developed PEP framework is three-fold -(a) the framework can be used for PEP even without one of its major intelligent aids that simulates experiments, simply by collecting real experimental data; (b) the framework with a simulator can provide intelligent assistance for experiment design by utilizing existing domain theories; and (c) the framework can help provide strategic assessment of different types of parallel experimentation plans that involve different tradeoffs.
机译:本文介绍了一个称为并行实验计划(PEP)的框架,该框架是基于在大分子结晶结构域中进​​行实验的抽象。该域中的目标是获得蛋白质或其他大分子的良好质量晶体,其可以是X射线衍射以确定三维结构。此域名在实际情况下遇到问题,例如并行和动态环境,资源不足和昂贵的任务。 PEP框架包括牵引组件类型:(1)用于跟踪实验,资源和成本集的信息管理系统; (2)基于知识的方法,用于为决策提供智能援助。发达的PEP框架的意义是三倍 - (a)即使没有其中一个主要的智能辅助辅助设备,可以使用实验的主要智能辅助装置,只需收集真实的实验数据即可(b)通过利用现有的域系理论,框架可以为实验设计提供智能辅助; (c)该框架可以帮助提供对不同类型的并行实验计划的战略评估,涉及不同的权衡。

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