Using word evolution to predict drug repurposing

Abstract

Abstract Background Traditional literature based discovery is based on connecting knowledge pairs extracted from separate publications via a common mid point to derive previously unseen knowledge pairs. To avoid the over generation often associated with this approach, we explore an alternative method based on word evolution. Word evolution examines the changing contexts of a word to identify changes in its meaning or associations. We investigate the possibility of using changing word contexts to detect drugs suitable for repurposing. Results Word embeddings, which represent a word’s context, are constructed from chronologically ordered publications in MEDLINE at bi-monthly intervals, yielding a time series of word embeddings for each word. Focusing on clinical drugs only, any drugs repurposed in the final time segment of the time series are annotated as positive examples. The decision regarding the drug’s repurposing is based either on the Unified Medical Language System (UMLS), or semantic triples extracted using SemRep from MEDLINE. Conclusions The annotated data allows deep learning classification, with a 5-fold cross validation, to be performed and multiple architectures to be explored. Performance of 65% using UMLS labels, and 81% using SemRep labels is attained, indicating the technique’s suitability for the detection of candidate drugs for repurposing. The investigation also shows that different architectures are linked to the quantities of training data available and therefore that different models should be trained for every annotation approach.