Comp IT Program for Facilitating Drug Discovery & Development

治疗癌症和其他疾病的新药的发现和开发更多地依赖于信息技术，以更有效的方式收集和分析数据。这是由于与过去相比，今天一次实验产生的数据量。20年前，当NCI60屏幕应用于96孔板时，它被认为是最先进的。如今，NCI60每周生成20,800个数据点。相比之下，在1536个孔板中进行的超高通量筛选（uHTS）分析在相同的时间内可以产生220万数据点。随着新的药理学分析方法的出现，除了药代动力学之外，还可以评估药效学。几年前，一个简单的功效实验不需要从肿瘤或正常组织/液体中采集任何样本进行分析，现在可以采集多达4000个样本，需要在多个检测和多个部位进行分析。这不仅造成了存储和处理问题，而且还造成了分析问题，因为人们试图在一次实验中从多达十个不同的端点得出相关性。为了解决这些问题，并加快实施和整合用于药物发现和开发的数据采集、存储和评估的新IT软件，DCTD与CaBIG协商，选择了CambridgeSoft，这是一个用于数据和知识管理的生命科学企业解决方案。因此，为与CaBIG兼容而修改的CambridgeSoft正成为收集化学生物学联盟（CBC）项目中产生的所有数据的主要软件，这些项目在NCI、SAIC-F、各种NCI承包商和外部联盟成员中进行。由于DCTD/DTP IT资源有限，无法从CBC成员和DCTD承包商收集不同的数据流，因此实现速度很慢。我们的目标是集成额外的软件，以方便分析来自多个流的数据，如simulation Plus， Spotfire, proous /Integrity， GVK-Bio靶标和生物标志物数据库以及FDA的硅毒性预测软件，仅举几例。这些软件包还将尽可能地与微软项目企业服务器集成，SAIC项目管理办公室使用该服务器管理DCTD的药物发现和开发项目。

The discovery and development of new drugs to treat cancer and other diseases has been more reliant on information technology to collect and analyze data in a more efficient manner. This is due to the amount of data generated in one experiment today as compared to the past. When the NCI60 screen was implemented in 96 well plates 20 years ago, it was considered state of the art. Today the NCI60 generates 20,800 data points per week. In comparison, an ultra high throughput screening (uHTS) assay conducted in 1536 well plates can generate 2.2 million data points in that same period of time. With the advent of new pharmacology assays to evaluate pharmacodynamics in addition to pharmacokinetics, a simple efficacy experiment that did not take any samples from the tumor or normal tissues/fluids for analysis a few years ago, now can take up to 4000 samples that need to be analyzed in multiple assays and multiple sites. This not only creates a storage and handling issue, but also one for analysis since one is attempting to draw correlations from as many as ten different endpoints in one experiment. To solve these issues and to accelerate the implementation and integration of new IT software for data acquisition, storage and evaluation for drug discovery and development, in consultation with CaBIG, DCTD has selected CambridgeSoft, a life science enterprise solution for data and knowledge management. As a result, CambridgeSoft, modified for compatibility with CaBIG, is becoming the primary software for the collection of all data generated on Chemical Biology Consortium (CBC) projects that are conducted within the NCI, at SAIC-F, at various NCI contractors and with outside consortium members. Implementation is slow due to the limited DCTD/DTP IT resources to enable the collection of different data streams from CBC members and DCTD contractors. Our goal is to integrate additional software that will facilitate the analysis of this data from multiple streams such as Simulations Plus, Spotfire, Prous/Integrity, GVK-Bio Target and Biomarker Databases and FDA in silico toxicity prediction software, to name a few. These software packages will also be integrated to the extent possible with the Microsoft Project Enterprise server which the Project Management Office of SAIC uses to manage drug discovery and development projects for DCTD. The solution is to purchase/license new commercial off the shelf (COTS) software as indicated above and award new IT contracts or expand existing contracts through SAIC to speed up the integration process.