chemicalchecker.core.sign2
Signature type 2.
Network embedding of the similarity matrix derived from signatures type 1. They have fixed length, which is convenient for machine learning, and capture both explicit and implicit similarity relationships in the data.
Signatures type 2 are the result of a two-step process:
Transform nearest-neighbor of signature type 1 to graph.
Perform network embedding with Node2Vec.
It is not possible to produce network embeddings for out-of-sample (out-of-vocabulary) nodes, so a multi-output regression needs to be performed a posteriori (from signatures type 1 to signatures type 2) in order to endow predict() capabilities.
Classes
Signature type 2 class. |