BERTChem-DDI : Improved Drug-Drug Interaction Prediction from text using Chemical Structure Information

Traditional biomedical version of embeddings obtained from pre-trained language models have recently shown state-of-the-art results for relation extraction (RE) tasks in the medical domain. In this paper, we explore how to incorporate domain knowledge, available in the form of molecular structure of drugs, for predicting Drug-Drug Interaction from textual corpus. We propose a method, BERTChem-DDI, to efficiently combine drug embeddings obtained from the rich chemical structure of drugs along with off-the-shelf domain-specific BioBERT embedding-based RE architecture. Experiments conducted on the DDIExtraction 2013 corpus clearly indicate that this strategy improves other strong baselines architectures by 3.4\% macro F1-score.Comment: arXiv admin note: substantial text overlap with arXiv:2012.1114

Predicting Drug-Drug Interactions from Heterogeneous Data: An Embedding Approach

Predicting and discovering drug-drug interactions (DDIs) using machine learning has been studied extensively. However, most of the approaches have focused on text data or textual representation of the drug structures. We present the first work that uses multiple data sources such as drug structure images, drug structure string representation and relational representation of drug relationships as the input. To this effect, we exploit the recent advances in deep networks to integrate these varied sources of inputs in predicting DDIs. Our empirical evaluation against several state-of-the-art methods using standalone different data types for drugs clearly demonstrate the efficacy of combining heterogeneous data in predicting DDIs.Comment: 10 pages, 6 figures, Accepted as a short paper to 'Artificial Intelligence in Medicine 2021

Towards Incorporating Entity-specific Knowledge Graph Information in Predicting Drug-Drug Interactions

Off-the-shelf biomedical embeddings obtained from the recently released various pre-trained language models (such as BERT, XLNET) have demonstrated state-of-the-art results (in terms of accuracy) for the various natural language understanding tasks (NLU) in the biomedical domain. Relation Classification (RC) falls into one of the most critical tasks. In this paper, we explore how to incorporate domain knowledge of the biomedical entities (such as drug, disease, genes), obtained from Knowledge Graph (KG) Embeddings, for predicting Drug-Drug Interaction from textual corpus. We propose a new method, BERTKG-DDI, to combine drug embeddings obtained from its interaction with other biomedical entities along with domain-specific BioBERT embedding-based RC architecture. Experiments conducted on the DDIExtraction 2013 corpus clearly indicate that this strategy improves other baselines architectures by 4.1% macro F1-score