High-throughput screening (HTS) is now routinely conducted for drug discovery by both pharmaceutical companies and screening centers at academic institutions and universities. Rapid advance in assay development, robot automation, and computer technology has led to the generation of terabytes of data in screening laboratories. Despite the technology development toward HTS productivity, fewer efforts were devoted to HTS data integration and sharing. As a result, the huge amount of HTS data was rarely made available to the public. To fill this gap, the PubChem BioAssay database ( https://www.ncbi.nlm.nih.gov/pcassay/ ) was set up in 2004 to provide open access to the screening results tested on chemicals and RNAi reagents. With more than 10 years' development and contributions from the community, PubChem has now become the largest public repository for chemical structures and biological data, which provides an information platform to worldwide researchers supporting drug development, medicinal chemistry study, and chemical biology research. This work presents a review of the HTS data content in the PubChem BioAssay database and the progress of data deposition to stimulate knowledge discovery and data sharing. It also provides a description of the database's data standard and basic utilities facilitating information access and use for new users.
創薬を目的としたハイスループットスクリーニング(HTS)は、今や製薬企業と学術機関および大学のスクリーニング施設の両方で日常的に行われている。アッセイ法の開発、ロボットオートメーション、コンピュータ技術の急速な進歩により、スクリーニング検査室においてテラバイト単位のデータ生成が可能となった。HTS生産性に向けた技術開発が進む一方で、HTSデータの統合および共有に向けた取り組みはほとんど行われなかった結果、膨大な量のHTSデータはほとんど公表されていなかった。この状況を打開するために、PubChem BioAssayデータベース(
HTS(고속 대량 스크리닝)는 이제 제약 회사와 학술 기관 및 대학의 스크리닝 센터에서 약품 발견을 위해 일상적으로 실시됩니다. 분석 개발, 로봇 자동화 및 컴퓨터 기술의 급속한 발전으로 스크리닝 실험실에서 테라바이트의 데이터가 생성되고 있습니다. HTS 생산성 향상을 위한 기술 개발에도 불구하고 HTS 데이터 통합 및 공유에 대한 노력이 줄어 들었습니다. 그 결과 엄청난 양의 HTS 데이터가 거의 대중에게 공개되지 않았습니다. 이러한 격차를 메우고 화학 물질 및 RNAi 시약에 대해 테스트된 스크리닝 결과에 공개적으로 액세스할 수 있도록 2004년 퍼브켐 바이오애세이 데이터베이스(
高通量筛查(HTS)现已经成为各大制药公司和研究机构与高校筛查中心在新药研发中必不可少的技术环节。试验开发、机器人自动化和计算机科技的高速发展,已经开启了筛查实验室兆兆字节数据的新时代。然而,虽然提高HTS效能的创新技术层出不穷,HTS的数据综合与分享技术却几乎无人问津。因此,公众很难接触到海量的HTS数据信息。为填补这一空白,公共化合物数据库计划生物鉴定数据库于
高通量篩查(HTS)現已經成為各大製藥公司和研究機構與高校篩查中心在新藥研發中必不可少的技術環節。試驗開發、機器人自動化和電腦科技的高速發展,已經開啟了篩查實驗室兆百萬位組資料的新時代。然而,雖然提高HTS效能的創新技術層出不窮,HTS的資料綜合與分享技術卻幾乎無人問津。因此,大眾很難接觸到海量的HTS資料資訊。為填補這一空白,公共化合物資料庫計劃生物鑒定資料庫於(
Keywords: PubChem BioAssay; data sharing; high-throughput screening; open access.