Hello On Tue, Jun 12, 2012 at 11:49 AM, Lin MD, Simon <linmd.si...@mcrf.mfldclin.edu> wrote: > Hi Joanne, > > Thank you for sharing this topic with the group! For discussion, I am > attaching the manuscript and a related review article.
Yes, thanks for sharing, very interesting! > Generally, the prediction models work well in this problem domain (-- If not, > the discipline of medicinal chemistry would not exist). > > The bottleneck is the availability of large scale data: chemical structure, > drug target, protein-protein interaction, indications, know side effects, etc. Hopefully, in the future, we will be able to simulate, for a given chemical structure: - which proteins (or other bio-molecules) it interacts with - how that interaction changes the function of the bio-molecule - how changed function of molecules change biological networks and systemic function However, what the article says sounds more limited: "... a database of 73 proteins ..." > As such, Open Linked Data might offer help! Eventually. Take care Oliver -- Oliver Ruebenacker Bioinformatics Consultant (http://www.knowomics.com/wiki/Oliver_Ruebenacker) Knowomics, The Bioinformatics Network (http://www.knowomics.com) SBPAX: Turning Bio Knowledge into Math Models (http://www.sbpax.org)