Learning to SMILE(S)
Tytuł:
Learning to SMILE(S)
Czasopismo:
INTERNATIONAL CONFERENCE ON LEARNING REPRESENTATIONS (WORKSHOP TRACK)
Rok:
2016
Opis:
This paper shows how one can directly apply natural language processing (NLP)
methods to classification problems in cheminformatics. Connection between these
seemingly separate fields is shown by considering standard textual representation
of compound, SMILES. The problem of activity prediction against a target protein
is considered, which is a crucial part of computer aided drug design process.
Conducted experiments show that this way one can not only outrank state of the
art results of h
Link:
http://beta.openreview.net/pdf?id=VAVqG11WmSx0Wk76TAzp