Large collections of combinatorial libraries are an integral element in today's pharmaceutical industry. It is of great interest to perform similarity searches against all virtual compounds that are synthetically accessible by any such library. Here we describe the successful application of a new software tool CoLibri on 358 combinatorial libraries based on validated reaction protocols to create a single chemistry space containing over 10 (12) possible products. Similarity searching with FTrees-FS allows the systematic exploration of this space without the need to enumerate all product structures. The search result is a set of virtual hits which are synthetically accessible by one or more of the existing reaction protocols. Grouping these virtual hits by their synthetic protocols allows the rapid design and synthesis of multiple follow-up libraries. Such library ideas support hit-to-lead design efforts for tasks like follow-up from high-throughput screening hits or scaffold hopping from one hit to another attractive series.

Abstract. There has been much UbiComp research into motivating people to live more active and healthy lifestyle with sports. The idea behind these approaches is centered on social and peer effects in enhancing exercise adherence. While research of this kind has been prolific, there has very little work been done to identify factors that embody comfortable and informed accompanied exercise experience. This paper takes an increasingly attractive cycling theme as a testbed and proposes an unobtrusive and intuitive interface arrangement based on light. It can create a sense of being together with each other for distant apart cyclists. The initial results yield a good level of comprehension and motivation towards the use of the interface. The hope is that the elicited recommendations can guide the design of UbiComp technologies for social motivational physical exercises.