SBIR Phase II: Cheminformatics Teaching Tools for the Cheminformatics Virtual Classroom

SBIR 第二阶段：化学信息学虚拟课堂的化学信息学教学工具

• 批准号: 0450457
• 负责人: Norah MacCuish
• 金额: --
• 依托单位: Mesa Analytics & Computing, LLC
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-03-01 至 2007-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0450457&HistoricalAwards=false
• 关键词: SBIR; Phase; II; Cheminformatics; Teaching

This Small Business Innovation Research (SBIR) Phase II project addresses the development of virtual classroom software tools for cheminformatics training in academia and industry. Mesa Analytics & Computing, LLC provides a commercial, integrated suite of the leading-edge cheminformatics software tools for the pharmaceutical and biotech industry. However, these tools, incorporating the most recent research in cheminformatics by Mesa, and integrated with other leading cheminformatics vendors` software (OpenEye, eduSoft, ChemAxon, and AccuSoft), are for use in large-scale research and industrial applications, where the users already have experience in cheminformatics software, most often obtained through on-the-job training. The research goals of this project are to develop an easy to use, comprehensive, and competitively priced cheminformatics virtual classroom. This project will further the advanced research and development of software tools for interactive distance learning in cheminformatics topics, such as finding compound substructure commonalities, generation and use of structural and property compound descriptors, similarity searching, cluster analysis, compound library design, 3D drug design, compound databases, and Quantitative Structure Activity Relationship (QSAR). The project will produce a beta version of the cheminformatics virtual classroom ready for testing and marketing to the academic and industry markets.There are a growing number of university departments worldwide offering courses and degrees in cheminformatics, across a range of life science disciplines. However, there is no comprehensive cheminformatics virtual classroom product. Software products used in the pharmaceutical and biotech industry are expensive, difficult to install, and of limited utility for introductory training. Converting Mesa`s tools and other vendors` software into a coherent set of Web-based training tools for concept learning, with the help of six diverse academic testing sites, will provide the necessary training tools for academia and industry. Web delivered training software is a cost effective means to provide distance learning for rural and urban academic institutions and industry sites here and abroad. The virtual classroom will help to lower the cost of on-the-job training for early phase drug discovery research efforts found in the pharmaceutical and biotech industries. The long term goal is to increase the quality and quantity of new researchers, with the potential benefit of increasing the number of drug leads, thereby improving the chances of finding more effective drugs for a wider range of serious diseases, and possibly lowering the cost to consumers.

这项小型企业创新研究（SBIR）第二阶段项目介绍了用于学术界和行业化学形象培训的虚拟课堂软件工具的开发。 MESA Analytics＆Computing，LLC为制药和生物技术行业提供了一套商业，集成的套件。 然而，这些工具纳入了MESA的化学信息学研究，并与其他领先的化学信息形式供应商软件（Openeye，Edusoft，Chemaxon和Accusoft）集成在一起，用于大规模研究和工业应用，在该应用中，用户已经在ChemInalformics软件上已经有经验，通常可以通过通过The-Job培训获得。 该项目的研究目标是开发易于使用，全面且价格竞争性化的化学传染性虚拟教室。 该项目将进一步研究化学信息图主题中用于交互式距离学习的软件工具的高级研究和开发，例如查找复合子结构共同点，结构和财产复合描述符的产生和使用，相似性搜索，集群分析，复合图书馆设计，3D药物设计，化合物数据库以及化合物数据库以及定量结构活动关系（QSAR）（QSAR）。 该项目将生产Beta版的化学信息学虚拟教室，准备在学术和行业市场上进行测试和营销。在全球范围内，越来越多的大学部门提供化学课程和学位，跨越一系列的生活科学纪律。但是，没有全面的化学信息学虚拟教室产品。 药品和生物技术行业中使用的软件产品价格昂贵，难以安装，并且用于入门培训的实用程序有限。 将MESA的工具和其他供应商的软件转换为一组基于网络的培训工具，用于概念学习，借助六种不同的学术测试网站，将为学术界和行业提供必要的培训工具。 网络交付的培训软件是一种经济有效的手段，可以为国外的农村和城市学术机构和行业网站提供远程学习。 虚拟教室将有助于降低药物和生物技术行业中发现的早期药物发现研究工作的工作中培训的成本。 长期目标是提高新研究人员的质量和数量，并具有增加药物潜在客户数量的潜在好处，从而提高了为更广泛的严重疾病寻找更有效的药物的机会，并可能降低消费者的成本。