There has been a lot of great contributions about clustering on the forums recently. A key point that has not yet been addressed is that no clustering method works perfectly because clustering is subjective.

To set the context, typically we might output a cluster table in the format below, which is then to be shared with coworkers or printed to make SAR/purchase annotations etc.

The clustering is generally pretty good but we find ourselves wanting to manually rearrange things, e.g.

Move a compound from one cluster to another

Move some compounds into a new cluster

Change the order of compounds within a cluster, and the order of the clusters themselves

Of course it is possible to do these things by noting down compound ID's and modifying the protocol but this is slow and cumbersome.

What would be really useful is to be able to drag and drop the tiles and then save the output.

I tend to think it's possible to do pretty much anything with pipeline pilot but I'm not sure whether I've encountered anything quite like this, so this is part request and part question - if anyone will know then it will be the bright sparks on the PP forums!

There are some additions that would make this really nice to use such as the ability to roll-up a cluster (with a '+' box at the side of the cluster title) and the ability to have sub-clusters, e.g. create cluster 12.1 inside cluster 12.

Late last night I got thinking about all the commonalities with the windows explorer file system and wondered if this might be one way to approach it, but I could be completely barking up the wrong tree, either way, your thoughts/tips/examples would be greatly appreciated, even just a show of support that you think this would be a valuable addition

Thanks

Kris