Learning to Describe for Predicting Zero-shot Drug-Drug Interactions
- URL: http://arxiv.org/abs/2403.08377v1
- Date: Wed, 13 Mar 2024 09:42:46 GMT
- Title: Learning to Describe for Predicting Zero-shot Drug-Drug Interactions
- Authors: Fangqi Zhu, Yongqi Zhang, Lei Chen, Bing Qin, Ruifeng Xu
- Abstract summary: Adverse drug-drug interactions can compromise the effectiveness of concurrent drug administration.
Traditional computational methods for DDI prediction may fail to capture interactions for new drugs due to the lack of knowledge.
We propose TextDDI with a language model-based DDI predictor and a reinforcement learning(RL)-based information selector.
- Score: 54.172575323610175
- License: http://creativecommons.org/licenses/by-nc-sa/4.0/
- Abstract: Adverse drug-drug interactions~(DDIs) can compromise the effectiveness of
concurrent drug administration, posing a significant challenge in healthcare.
As the development of new drugs continues, the potential for unknown adverse
effects resulting from DDIs becomes a growing concern. Traditional
computational methods for DDI prediction may fail to capture interactions for
new drugs due to the lack of knowledge. In this paper, we introduce a new
problem setup as zero-shot DDI prediction that deals with the case of new
drugs. Leveraging textual information from online databases like DrugBank and
PubChem, we propose an innovative approach TextDDI with a language model-based
DDI predictor and a reinforcement learning~(RL)-based information selector,
enabling the selection of concise and pertinent text for accurate DDI
prediction on new drugs. Empirical results show the benefits of the proposed
approach on several settings including zero-shot and few-shot DDI prediction,
and the selected texts are semantically relevant. Our code and data are
available at \url{https://github.com/zhufq00/DDIs-Prediction}.
Related papers
- Benchmarking Graph Learning for Drug-Drug Interaction Prediction [30.712106722531313]
Predicting drug-drug interaction (DDI) plays an important role in pharmacology and healthcare.
Recent graph learning methods have been introduced to predict drug-drug interactions.
We propose a DDI prediction benchmark on graph learning.
arXiv Detail & Related papers (2024-10-24T09:35:34Z) - ExDDI: Explaining Drug-Drug Interaction Predictions with Natural Language [19.426453222204714]
We propose to generate natural language explanations for DDI predictions.
We have collected DDI explanations from DDInter and DrugBank.
Our models can provide accurate explanations for unknown DDIs between known drugs.
arXiv Detail & Related papers (2024-09-09T13:23:14Z) - ADRNet: A Generalized Collaborative Filtering Framework Combining
Clinical and Non-Clinical Data for Adverse Drug Reaction Prediction [49.56476929112382]
Adverse drug reaction (ADR) prediction plays a crucial role in both health care and drug discovery.
We propose ADRNet, a generalized collaborative filtering framework combining clinical and non-clinical data for drug-ADR prediction.
arXiv Detail & Related papers (2023-08-03T11:28:12Z) - DDI Prediction via Heterogeneous Graph Attention Networks [0.0]
Polypharmacy is the use of multiple drugs together.
Drug-drug interaction (DDI) is the activity that occurs when the impact of one drug changes when combined with another.
We present a novel heterogeneous graph attention model, HAN-DDI, to predict drug-drug interactions.
arXiv Detail & Related papers (2022-07-12T16:59:06Z) - HyGNN: Drug-Drug Interaction Prediction via Hypergraph Neural Network [0.0]
Drug-Drug Interactions (DDIs) may hamper the functionalities of drugs, and in the worst scenario, they may lead to adverse drug reactions (ADRs)
This paper proposes a novel Hypergraph Neural Network (HyGNN) model based on only the SMILES string of drugs, available for any drug, for the DDI prediction problem.
Our proposed HyGNN model effectively predicts DDIs and impressively outperforms the baselines with a maximum ROC-AUC and PR-AUC of 97.9% and 98.1%, respectively.
arXiv Detail & Related papers (2022-06-25T22:48:27Z) - SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity
Prediction [127.43571146741984]
Drug-Target Affinity (DTA) is of vital importance in early-stage drug discovery.
wet experiments remain the most reliable method, but they are time-consuming and resource-intensive.
Existing methods have primarily focused on developing techniques based on the available DTA data, without adequately addressing the data scarcity issue.
We present the SSM-DTA framework, which incorporates three simple yet highly effective strategies.
arXiv Detail & Related papers (2022-06-20T14:53:25Z) - Multi-View Substructure Learning for Drug-Drug Interaction Prediction [69.34322811160912]
We propose a novel multi- view drug substructure network for DDI prediction (MSN-DDI)
MSN-DDI learns chemical substructures from both the representations of the single drug (intra-view) and the drug pair (inter-view) simultaneously and utilizes the substructures to update the drug representation iteratively.
Comprehensive evaluations demonstrate that MSN-DDI has almost solved DDI prediction for existing drugs by achieving a relatively improved accuracy of 19.32% and an over 99% accuracy under the transductive setting.
arXiv Detail & Related papers (2022-03-28T05:44:29Z) - SafeDrug: Dual Molecular Graph Encoders for Safe Drug Recommendations [59.590084937600764]
We propose a DDI-controllable drug recommendation model named SafeDrug to leverage drugs' molecule structures and model DDIs explicitly.
On a benchmark dataset, our SafeDrug is relatively shown to reduce DDI by 19.43% and improves 2.88% on Jaccard similarity between recommended and actually prescribed drug combinations over previous approaches.
arXiv Detail & Related papers (2021-05-05T00:20:48Z) - Two Step Joint Model for Drug Drug Interaction Extraction [82.49278654043577]
Drug-Drug Interaction (DDI) Extraction from Drug Labels challenge of Text Analysis Conference (TAC) 2018.
We propose a two step joint model to detect DDI and it's related mentions jointly.
A sequence tagging system (CNN-GRU encoder-decoder) finds precipitants first and search its fine-grained Trigger and determine the DDI for each precipitant in the second step.
arXiv Detail & Related papers (2020-08-28T15:30:08Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.