TAS::75 0862::TAS SBIR PHASE I, TOPIC 108R&D-OTHER R & D-B RES

在过去的二十年里，分子生物学和计算机领域取得了巨大的技术进步 科学。NTP正在评估如何最好地将这些进展纳入其研究和测试 战略，以扩大与接触有关的疾病机制的科学知识。支持 经过这些努力，本合同的目标是开发一套基于PC和/或Mac的综合预测系统，以 支持环境毒理学评估。开发人员将需要提供用户友好的界面 这将集成计算机预测中常用的工具，以提供与以下内容相关的数据和预测 感兴趣的化学物质的潜在毒理作用。用户必须能够通过 化学文摘服务注册号、化学名称、结构数据文件、MOL文件、IUPAC 国际化学识别符(InChl)，或简化的分子输入线路输入系统(SMILES)代码。 用户必须能够至少通过毒物终点限制他们的搜索标准(例如，致癌， 遗传毒性、免疫毒性、生殖毒性)。

The last two decades have produced dramatic technological advances in molecular biology and computer science. The NTP is evaluating how best to incorporate these advances into its research and testing strategies in order to broaden scientific knowledge of exposure-related disease mechanisms. To support these efforts, the goal of this contract is to develop a PC and/or Mac-based integrated prediction system to support environment toxicological assessments. The developer will need to provide a user-friendly interface that will integrate tools commonly available for in silico predictions to provide data and predictions relating to the potential toxicological effects of a chemical of interest. The user must be able to enter a query via a Chemical Abstracts Service Registry Number, the chemical name, a structure data file, a molfile, a IUPAC International Chemical Identifier (InChl), or a Simplified Molecular Input Line Entry Systems (SMILES) code. Users must be able to limit their search criteria at least by toxicological endpoint (e.g., carcinogenicity, genotoxicity, immunotoxicity, reproductive toxicity).