Data Infrastructure Core

该中心的各种项目和核心之间的一个独特的共同点是需要严格和 可再现数据。虽然成功发现新的抗病毒药物本质上是多学科的，但数据必须 生物学家和化学家在这个过程的每一步都产生、收集、注释和采取行动， 目标验证到后期潜在客户优化。该核心的目标是创建下一代数据 基础设施，使这些数据任务的有效开展，以及开放数据的传播 更大的科学界。创新的软件将建立在为 开放科学的COVID Moonshot倡议，用于快速发现抗病毒药物，从而产生了SARSCoV的新型抑制剂- 2 Main Protease，同时还通过开放数据实践支持地球仪的数百个项目。 早期的端到端数据收集和药物发现项目进展的跟踪，将使加速 内部开发，以及对全球抗病毒药物管道开发至关重要的数据来源。所有 内部结果以及大院后勤和优先次序将得到跟踪和提供， 为机器学习模型提供高质量的数据，以增强快速开发， 除了数据和元数据范围之外， 从目标验证到临床前开发，最终将与全球社区共享， 抗病毒药物发现的全球进展。

A unique commonality among the diverse Projects and Cores of this Center is the need for rigorous and reproducible data. While the successful discovery of novel antivirals is inherently multidisciplinary, data must be generated, collected, annotated, and acted upon at each step of the process by biologists and chemists from target validation to late-stage lead optimization. The goal of this Core is to create a next-generation data infrastructure that allows for the efficient undertaking of these data tasks, as well as the dissemination of opendata to the larger scientific community. Innovative software will build on initial architecture developed for the open-science COVID Moonshot initiative for rapid antiviral discovery, which led to novel inhibitors of the SARSCoV- 2 Main Protease, while also supporting hundreds of projects across the globe through open-data practices. Early end-to-end collection of data and tracking of drug discovery project progression, will enable accelerated internal development, in addition to sources of data crucial for development of the global antiviral pipeline. All internal results, as well as compound logistics and prioritization, will be tracked and made available, thus providing the high quality data for machine learning models to augment rapid development, and for the computational community to build on. Data workflows and processes in addition to data and metadata ranging from target validation to preclinical development will ultimately be shared to the global community, spurring rapid global progress in antiviral discovery.