Monday, April 18, 2016

***, compound profiling, initial thoughts

These compounds are 'newly designed and synthesized' and their targets are needed to be identified and verified.

PCA, then, Euclean distance,  MCL
PCA, then K-means

For comparison: Elastic net

Score criteria: jaccard index with original annotation.

https://en.wikipedia.org/wiki/Jaccard_index

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