Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort.
Ying-Duo GaoYuan HuAlejandro CrespoDeping WangKira A. ArmacostJames I. FellsXavier FraderaHongwu WangHuijun WangBrad SherborneAndreas VerrasZhengwei PengPublished in: J. Comput. Aided Mol. Des. (2018)
Keyphrases
- lessons learned
- grand challenge
- future directions
- case study
- prediction accuracy
- autonomous driving
- web search
- prediction algorithm
- design science
- learning to rank
- ranking algorithm
- participatory design
- data processing
- collaborative learning
- ranking functions
- web services
- grounded theory
- database
- workflow management
- grand challenges
- knowledge intensive
- link analysis
- prediction error
- prediction model
- knowledge sharing
- metadata
- real world
- data sets