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Learning graph representations of biochemical networks and its application to enzymatic link prediction
[article]
2020
arXiv
pre-print
The complete characterization of enzymatic activities between molecules remains incomplete, hindering biological engineering and limiting biological discovery. We develop in this work a technique, Enzymatic Link Prediction (ELP), for predicting the likelihood of an enzymatic transformation between two molecules. ELP models enzymatic reactions catalogued in the KEGG database as a graph. ELP is innovative over prior works in using graph embedding to learn molecular representations that capture
arXiv:2002.03410v1
fatcat:i7waobftvfevreenohggc5dvdm