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Complex chemical structures, like drugs, are usually defined by SMILES strings as a sequence of molecules and bonds. These SMILES strings are used in different complex machine learning-based drug-related research and representation works.…

Biomolecules · Quantitative Biology 2024-03-29 Azmine Toushik Wasi , Šerbetar Karlo , Raima Islam , Taki Hasan Rafi , Dong-Kyu Chae

Medical knowledge is context-dependent and requires consistent reasoning across various natural language expressions of semantically equivalent phrases. This is particularly crucial for drug names, where patients often use brand names like…

Contextual information is widely considered for NLP and knowledge discovery in life sciences since it highly influences the exact meaning of natural language. The scientific challenge is not only to extract such context data, but also to…

Databases · Computer Science 2020-01-24 Jens Dörpinghaus , Andreas Stefan , Bruce Schultz , Marc Jacobs

Knowledge Graph has been proven effective in modeling structured information and conceptual knowledge, especially in the medical domain. However, the lack of high-quality annotated corpora remains a crucial problem for advancing the…

Computation and Language · Computer Science 2021-09-22 Dejie Chang , Mosha Chen , Chaozhen Liu , Liping Liu , Dongdong Li , Wei Li , Fei Kong , Bangchang Liu , Xiaobin Luo , Ji Qi , Qiao Jin , Bin Xu

The polypharmacy side effect prediction problem considers cases in which two drugs taken individually do not result in a particular side effect; however, when the two drugs are taken in combination, the side effect manifests. In this work,…

Databases · Computer Science 2018-10-23 Brandon Malone , Alberto García-Durán , Mathias Niepert

Knowledge graphs (KGs) have commonly been constructed using predefined symbolic relation schemas, typically implemented as categorical relation labels. This design has notable shortcomings: real-world relations are often contextual,…

Computation and Language · Computer Science 2026-01-15 Kanyao Han , Yushang Lai

Medical relation extraction discovers relations between entity mentions in text, such as research articles. For this task, dependency syntax has been recognized as a crucial source of features. Yet in the medical domain, 1-best parse trees…

Computation and Language · Computer Science 2019-12-17 Linfeng Song , Yue Zhang , Daniel Gildea , Mo Yu , Zhiguo Wang , Jinsong Su

Distant supervision for relation extraction enables one to effectively acquire structured relations out of very large text corpora with less human efforts. Nevertheless, most of the prior-art models for such tasks assume that the given text…

Computation and Language · Computer Science 2019-09-13 Junfan Chen , Richong Zhang , Yongyi Mao , Hongyu Guo , Jie Xu

The probabilistic graphs framework models the uncertainty inherent in real-world domains by means of probabilistic edges whose value quantifies the likelihood of the edge existence or the strength of the link it represents. The goal of this…

Artificial Intelligence · Computer Science 2012-05-25 Claudio Taranto , Nicola Di Mauro , Floriana Esposito

Qualitative causal relationships compactly express the direction, dependency, temporal constraints, and monotonicity constraints of discrete or continuous interactions in the world. In everyday or academic language, we may express…

Artificial Intelligence · Computer Science 2022-02-25 Scott Friedman , Ian Magnusson , Vasanth Sarathy , Sonja Schmer-Galunder

Combination therapies have become the standard of care for diseases such as cancer, tuberculosis, malaria and HIV. However, the combinatorial set of available multi-drug treatments creates a challenge in identifying effective combination…

Computation and Language · Computer Science 2022-05-06 Aryeh Tiktinsky , Vijay Viswanathan , Danna Niezni , Dana Meron Azagury , Yosi Shamay , Hillel Taub-Tabib , Tom Hope , Yoav Goldberg

Electronic medical records contain multi-format electronic medical data that consist of an abundance of medical knowledge. Facing with patient's symptoms, experienced caregivers make right medical decisions based on their professional…

Databases · Computer Science 2017-07-25 Meng Wang , Jiaheng Zhang , Jun Liu , Wei Hu , Sen Wang , Xue Li , Wenqiang Liu

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

Graph-theoretical labeling provides a rigorous mathematical framework for characterizing the structural and functional organization of complex networks. This paper investigates the application of cordial labeling and signed product cordial…

Neurons and Cognition · Quantitative Biology 2025-11-11 S. Soundar Rajan , J. Baskar Babujee

Preventable adverse events as a result of medical errors present a growing concern in the healthcare system. As drug-drug interactions (DDIs) may lead to preventable adverse events, being able to extract DDIs from drug labels into a…

Computation and Language · Computer Science 2019-11-06 Tung Tran , Ramakanth Kavuluru , Halil Kilicoglu

A key assumption in multi-task learning is that at the inference time the multi-task model only has access to a given data point but not to the data point's labels from other tasks. This presents an opportunity to extend multi-task learning…

Machine Learning · Computer Science 2023-03-15 Kaidi Cao , Jiaxuan You , Jure Leskovec

Biomedical research is growing at such an exponential pace that scientists, researchers, and practitioners are no more able to cope with the amount of published literature in the domain. The knowledge presented in the literature needs to be…

Artificial Intelligence · Computer Science 2024-07-09 Nikola Milosevic , Wolfgang Thielemann

Objective: Disease knowledge graphs are a way to connect, organize, and access disparate information about diseases with numerous benefits for artificial intelligence (AI). To create knowledge graphs, it is necessary to extract knowledge…

Machine Learning · Computer Science 2022-09-01 Yucong Lin , Keming Lu , Sheng Yu , Tianxi Cai , Marinka Zitnik

One essential task in information extraction from the medical corpus is drug name recognition. Compared with text sources come from other domains, the medical text is special and has unique characteristics. In addition, the medical text…

Computation and Language · Computer Science 2016-10-07 Sadikin Mujiono , Mohamad Ivan Fanany , Chan Basaruddin

Pain is a complex concept that can interconnect with other concepts such as a disorder that might cause pain, a medication that might relieve pain, and so on. To fully understand the context of pain experienced by either an individual or…

Machine Learning · Computer Science 2023-08-21 Jaya Chaturvedi , Tao Wang , Sumithra Velupillai , Robert Stewart , Angus Roberts