Ed's Big Plans

Computing for Science and Awesome

Meeting with Chris

without comments

Brief: We’ve taken on a new strategy– Chris is building a novel database of LD50 values for many many compounds. We’ll be generating descriptors with some free software, (JoeLib) and (CDK). Eventually, the fixed-width descriptor vectors will be used, as well as the SMILES and InChI counterparts in Neural Networks and NGNs respectively; the ultimate goal is the development of either a nested neural decision tree whose subtrees are the descriptor network and NGNs… OR, the nesting of the descriptor network inside an NGN… OR, the creation of an expert voting system where each decision system gets to vote on a particular molecule of interest. With the windows NN software draft and NGN ready for SharcNet, preliminary trials can start soon.