Baede E.J.,Discovery Informatics |
Den Bekker E.,Discovery Informatics |
Boiten J.-W.,Discovery Informatics |
Cronin D.,Discovery Informatics |
And 2 more authors.
Journal of Chemical Information and Modeling | Year: 2012
Drug discovery teams continuously have to decide which compounds to progress and which experiments to perform next, but the data required to make informed decisions is often scattered, inaccessible, or inconsistent. In particular, data tend to be stored and represented in a compound-centric or assay-centric manner rather than project-centric as often needed for effective use in drug discovery teams. The Integrated Project Views (IPV) system has been created to fill this gap; it integrates and consolidates data from various sources in a project-oriented manner. Its automatic gathering and updating of project data not only ensures that the information is comprehensive and available on a timely basis, but also improves the data consistency. Due to the lack of suitable off-the-shelf solutions, we were prompted to develop custom functionality and algorithms geared specifically to our drug discovery decision making process. In 10 years of usage, the resulting IPV application has become very well-accepted and appreciated, which is perhaps best evidenced by the observation that standalone Excel spreadsheets are largely eliminated from project team meetings. © 2012 American Chemical Society. Source