skip to main content
10.1145/3604915.3608813acmconferencesArticle/Chapter ViewAbstractPublication PagesrecsysConference Proceedingsconference-collections
short-paper

ADRNet: A Generalized Collaborative Filtering Framework Combining Clinical and Non-Clinical Data for Adverse Drug Reaction Prediction

Published:14 September 2023Publication History

ABSTRACT

Adverse drug reaction (ADR) prediction plays a crucial role in both health care and drug discovery for reducing patient mortality and enhancing drug safety. Recently, many studies have been devoted to effectively predict the drug-ADRs incidence rates. However, these methods either did not effectively utilize non-clinical data, i.e., physical, chemical, and biological information about the drug, or did little to establish a link between content-based and pure collaborative filtering during the training phase. In this paper, we first formulate the prediction of multi-label ADRs as a drug-ADR collaborative filtering problem, and to the best of our knowledge, this is the first work to provide extensive benchmark results of previous collaborative filtering methods on two large publicly available clinical datasets. Then, by exploiting the easy accessible drug characteristics from non-clinical data, we propose ADRNet, a generalized collaborative filtering framework combining clinical and non-clinical data for drug-ADR prediction. Specifically, ADRNet has a shallow collaborative filtering module and a deep drug representation module, which can exploit the high-dimensional drug descriptors to further guide the learning of low-dimensional ADR latent embeddings, which incorporates both the benefits of collaborative filtering and representation learning. Extensive experiments are conducted on two publicly available real-world drug-ADR clinical datasets and two non-clinical datasets to demonstrate the accuracy and efficiency of the proposed ADRNet. The code is available at https://github.com/haoxuanli-pku/ADRnet.

References

  1. Alan Agresti. 1992. A survey of exact inference for contingency tables. Statistical science 7, 1 (1992), 131–153.Google ScholarGoogle Scholar
  2. John Arrowsmith and Philip Miller. 2013. Trial watch: phase II and phase III attrition rates 2011-2012. Nature reviews. Drug discovery 12, 8 (2013), 569.Google ScholarGoogle Scholar
  3. Juan M Banda, Lee Evans, Rami S Vanguri, Nicholas P Tatonetti, Patrick B Ryan, and Nigam H Shah. 2016. A curated and standardized adverse drug event resource to accelerate drug safety research. Scientific data 3, 1 (2016), 1–11.Google ScholarGoogle Scholar
  4. François Belleau, Marc-Alexandre Nolin, Nicole Tourigny, Philippe Rigault, and Jean Morissette. 2008. Bio2RDF: towards a mashup to build bioinformatics knowledge systems. Journal of biomedical informatics 41, 5 (2008), 706–716.Google ScholarGoogle ScholarDigital LibraryDigital Library
  5. Aurel Cami, Alana Arnold, Shannon Manzi, and Ben Reis. 2011. Predicting adverse drug events using pharmacological network models. Science translational medicine 3, 114 (2011), 114ra127–114ra127.Google ScholarGoogle Scholar
  6. YZ Chen and CY Ung. 2001. Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand–protein inverse docking approach. Journal of Molecular Graphics and Modelling 20, 3 (2001), 199–218.Google ScholarGoogle ScholarCross RefCross Ref
  7. Heng-Tze Cheng, Levent Koc, Jeremiah Harmsen, Tal Shaked, Tushar Chandra, Hrishi Aradhye, Glen Anderson, Greg Corrado, Wei Chai, Mustafa Ispir, 2016. Wide & deep learning for recommender systems. In Proceedings of the 1st workshop on deep learning for recommender systems. 7–10.Google ScholarGoogle ScholarDigital LibraryDigital Library
  8. R Todeschiniand V Consonni. 2009. Handbook of Molecular Descriptors, vol. 11.Google ScholarGoogle Scholar
  9. Behrooz Davazdahemami and Dursun Delen. 2018. A chronological pharmacovigilance network analytics approach for predicting adverse drug events. Journal of the American Medical Informatics Association 25, 10 (2018), 1311–1321.Google ScholarGoogle ScholarCross RefCross Ref
  10. Giovanna Maria Dimitri and Pietro Lió. 2017. DrugClust: a machine learning approach for drugs side effects prediction. Computational biology and chemistry 68 (2017), 204–210.Google ScholarGoogle Scholar
  11. I Ralph Edwards and Jeffrey K Aronson. 2000. Adverse drug reactions: definitions, diagnosis, and management. The lancet 356, 9237 (2000), 1255–1259.Google ScholarGoogle Scholar
  12. Anton F Fliri, William T Loging, Peter F Thadeio, and Robert A Volkmann. 2005. Analysis of drug-induced effect patterns to link structure and side effects of medicines. Nature chemical biology 1, 7 (2005), 389–397.Google ScholarGoogle Scholar
  13. Francesca Grisoni, Davide Ballabio, Roberto Todeschini, and Viviana Consonni. 2018. Molecular descriptors for structure–activity applications: a hands-on approach. In Computational Toxicology. Springer, 3–53.Google ScholarGoogle Scholar
  14. Huifeng Guo, Ruiming Tang, Yunming Ye, Zhenguo Li, and Xiuqiang He. 2017. DeepFM: a factorization-machine based neural network for CTR prediction. arXiv preprint arXiv:1703.04247 (2017).Google ScholarGoogle Scholar
  15. Felix Hammann, Heike Gutmann, Nadine Vogt, Christoph Helma, and Juergen Drewe. 2010. Prediction of adverse drug reactions using decision tree modeling. Clinical Pharmacology & Therapeutics 88, 1 (2010), 52–59.Google ScholarGoogle ScholarCross RefCross Ref
  16. Xiangnan He, Lizi Liao, Hanwang Zhang, Liqiang Nie, Xia Hu, and Tat-Seng Chua. 2017. Neural collaborative filtering. In Proceedings of the 26th international conference on world wide web. 173–182.Google ScholarGoogle ScholarDigital LibraryDigital Library
  17. Keith A Houck and Robert J Kavlock. 2008. Understanding mechanisms of toxicity: insights from drug discovery research. Toxicology and applied pharmacology 227, 2 (2008), 163–178.Google ScholarGoogle Scholar
  18. Md Jamiul Jahid and Jianhua Ruan. 2013. An ensemble approach for drug side effect prediction. In 2013 IEEE International Conference on Bioinformatics and Biomedicine. IEEE, 440–445.Google ScholarGoogle ScholarCross RefCross Ref
  19. Sarvnaz Karimi, Chen Wang, Alejandro Metke-Jimenez, Raj Gaire, and Cecile Paris. 2015. Text and data mining techniques in adverse drug reaction detection. ACM Computing Surveys (CSUR) 47, 4 (2015), 1–39.Google ScholarGoogle ScholarDigital LibraryDigital Library
  20. Sunghwan Kim, Paul A Thiessen, Evan E Bolton, Jie Chen, Gang Fu, Asta Gindulyte, Lianyi Han, Jane He, Siqian He, Benjamin A Shoemaker, 2016. PubChem substance and compound databases. Nucleic acids research 44, D1 (2016), D1202–D1213.Google ScholarGoogle Scholar
  21. Yehuda Koren, Robert Bell, and Chris Volinsky. 2009. Matrix factorization techniques for recommender systems. Computer 42, 8 (2009), 30–37.Google ScholarGoogle ScholarDigital LibraryDigital Library
  22. Mei Liu, Yonghui Wu, Yukun Chen, Jingchun Sun, Zhongming Zhao, Xue-wen Chen, Michael Edwin Matheny, and Hua Xu. 2012. Large-scale prediction of adverse drug reactions using chemical, biological, and phenotypic properties of drugs. Journal of the American Medical Informatics Association 19, e1 (2012), e28–e35.Google ScholarGoogle ScholarCross RefCross Ref
  23. Tal Lorberbaum, Kevin J Sampson, Raymond L Woosley, Robert S Kass, and Nicholas P Tatonetti. 2016. An integrative data science pipeline to identify novel drug interactions that prolong the QT interval. Drug safety 39, 5 (2016), 433–441.Google ScholarGoogle Scholar
  24. Radhakrishnan Mahadevan and Chrisophe H Schilling. 2003. The effects of alternate optimal solutions in constraint-based genome-scale metabolic models. Metabolic engineering 5, 4 (2003), 264–276.Google ScholarGoogle Scholar
  25. Kelong Mao, Jieming Zhu, Xi Xiao, Biao Lu, Zhaowei Wang, and Xiuqiang He. 2021. UltraGCN: ultra simplification of graph convolutional networks for recommendation. In Proceedings of the 30th ACM International Conference on Information & Knowledge Management. 1253–1262.Google ScholarGoogle ScholarDigital LibraryDigital Library
  26. Jean-Louis Montastruc, Agnès Sommet, Haleh Bagheri, and Maryse Lapeyre-Mestre. 2011. Benefits and strengths of the disproportionality analysis for identification of adverse drug reactions in a pharmacovigilance database. British journal of clinical pharmacology 72, 6 (2011), 905.Google ScholarGoogle Scholar
  27. Emir Muñoz, Vít Nováček, and Pierre-Yves Vandenbussche. 2016. Using drug similarities for discovery of possible adverse reactions. In AMIA Annual Symposium Proceedings, Vol. 2016. American Medical Informatics Association, 924.Google ScholarGoogle Scholar
  28. Duc Anh Nguyen, Canh Hao Nguyen, and Hiroshi Mamitsuka. 2021. A survey on adverse drug reaction studies: data, tasks and machine learning methods. Briefings in Bioinformatics 22, 1 (2021), 164–177.Google ScholarGoogle ScholarCross RefCross Ref
  29. Edouard Pauwels, Véronique Stoven, and Yoshihiro Yamanishi. 2011. Predicting drug side-effect profiles: a chemical fragment-based approach. BMC bioinformatics 12, 1 (2011), 1–13.Google ScholarGoogle Scholar
  30. Yanru Qu, Han Cai, Kan Ren, Weinan Zhang, Yong Yu, Ying Wen, and Jun Wang. 2016. Product-based neural networks for user response prediction. In 2016 IEEE 16th International Conference on Data Mining (ICDM). IEEE, 1149–1154.Google ScholarGoogle ScholarCross RefCross Ref
  31. Suvash Sedhain, Aditya Krishna Menon, Scott Sanner, and Lexing Xie. 2015. Autorec: Autoencoders meet collaborative filtering. In Proceedings of the 24th international conference on World Wide Web. 111–112.Google ScholarGoogle ScholarDigital LibraryDigital Library
  32. Itay Shaked, Matthew A Oberhardt, Nir Atias, Roded Sharan, and Eytan Ruppin. 2016. Metabolic network prediction of drug side effects. Cell systems 2, 3 (2016), 209–213.Google ScholarGoogle Scholar
  33. Ying Shan, T Ryan Hoens, Jian Jiao, Haijing Wang, Dong Yu, and JC Mao. 2016. Deep crossing: Web-scale modeling without manually crafted combinatorial features. In Proceedings of the 22nd ACM SIGKDD international conference on knowledge discovery and data mining. 255–262.Google ScholarGoogle ScholarDigital LibraryDigital Library
  34. Nicholas P Tatonetti, Tianyun Liu, and Russ B Altman. 2009. Predicting drug side-effects by chemical systems biology. Genome biology 10, 9 (2009), 1–4.Google ScholarGoogle Scholar
  35. Bernard Testa and Lemont B Kier. 1991. The concept of molecular structure in structure–activity relationship studies and drug design. Medicinal research reviews 11, 1 (1991), 35–48.Google ScholarGoogle Scholar
  36. Angelo Vedani, Max Dobler, and Markus A Lill. 2005. In silico prediction of harmful effects triggered by drugs and chemicals. Toxicology and Applied Pharmacology 207, 2 (2005), 398–407.Google ScholarGoogle ScholarCross RefCross Ref
  37. Chi-Shiang Wang, Pei-Ju Lin, Ching-Lan Cheng, Shu-Hua Tai, Yea-Huei Kao Yang, Jung-Hsien Chiang, 2019. Detecting potential adverse drug reactions using a deep neural network model. Journal of medical Internet research 21, 2 (2019), e11016.Google ScholarGoogle ScholarCross RefCross Ref
  38. Ruoxi Wang, Bin Fu, Gang Fu, and Mingliang Wang. 2017. Deep & cross network for ad click predictions. In Proceedings of the ADKDD’17. 1–7.Google ScholarGoogle ScholarDigital LibraryDigital Library
  39. Tai-Yin Wu, Min-Hua Jen, Alex Bottle, Mariam Molokhia, Paul Aylin, Derek Bell, and Azeem Majeed. 2010. Ten-year trends in hospital admissions for adverse drug reactions in England 1999–2009. Journal of the Royal Society of Medicine 103, 6 (2010), 239–250.Google ScholarGoogle ScholarCross RefCross Ref
  40. Cao Xiao, Ping Zhang, W Chaovalitwongse, Jianying Hu, and Fei Wang. 2017. Adverse drug reaction prediction with symbolic latent dirichlet allocation. In Proceedings of the AAAI Conference on Artificial Intelligence, Vol. 31.Google ScholarGoogle ScholarCross RefCross Ref
  41. Jun Xiao, Hao Ye, Xiangnan He, Hanwang Zhang, Fei Wu, and Tat-Seng Chua. 2017. Attentional factorization machines: Learning the weight of feature interactions via attention networks. arXiv preprint arXiv:1708.04617 (2017).Google ScholarGoogle Scholar
  42. Yoshihiro Yamanishi, Edouard Pauwels, and Masaaki Kotera. 2012. Drug side-effect prediction based on the integration of chemical and biological spaces. Journal of chemical information and modeling 52, 12 (2012), 3284–3292.Google ScholarGoogle ScholarCross RefCross Ref
  43. Weinan Zhang, Tianming Du, and Jun Wang. 2016. Deep learning over multi-field categorical data. In European conference on information retrieval. Springer, 45–57.Google ScholarGoogle ScholarCross RefCross Ref
  44. Wen Zhang, Feng Liu, Longqiang Luo, and Jingxia Zhang. 2015. Predicting drug side effects by multi-label learning and ensemble learning. BMC bioinformatics 16, 1 (2015), 1–11.Google ScholarGoogle Scholar

Index Terms

  1. ADRNet: A Generalized Collaborative Filtering Framework Combining Clinical and Non-Clinical Data for Adverse Drug Reaction Prediction

          Recommendations

          Comments

          Login options

          Check if you have access through your login credentials or your institution to get full access on this article.

          Sign in
          • Published in

            cover image ACM Conferences
            RecSys '23: Proceedings of the 17th ACM Conference on Recommender Systems
            September 2023
            1406 pages

            Copyright © 2023 ACM

            Permission to make digital or hard copies of all or part of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. Copyrights for components of this work owned by others than the author(s) must be honored. Abstracting with credit is permitted. To copy otherwise, or republish, to post on servers or to redistribute to lists, requires prior specific permission and/or a fee. Request permissions from [email protected].

            Publisher

            Association for Computing Machinery

            New York, NY, United States

            Publication History

            • Published: 14 September 2023

            Permissions

            Request permissions about this article.

            Request Permissions

            Check for updates

            Qualifiers

            • short-paper
            • Research
            • Refereed limited

            Acceptance Rates

            Overall Acceptance Rate254of1,295submissions,20%

            Upcoming Conference

            RecSys '24
            18th ACM Conference on Recommender Systems
            October 14 - 18, 2024
            Bari , Italy
          • Article Metrics

            • Downloads (Last 12 months)163
            • Downloads (Last 6 weeks)24

            Other Metrics

          PDF Format

          View or Download as a PDF file.

          PDF

          eReader

          View online with eReader.

          eReader

          HTML Format

          View this article in HTML Format .

          View HTML Format