Guiding questions to avoid data leakage in biological machine learning applications

J Bernett, DB Blumenthal, DG Grimm, F Haselbeck… - Nature …, 2024 - nature.com
Abstract Machine learning methods for extracting patterns from high-dimensional data are
very important in the biological sciences. However, in certain cases, real-world applications …

Long non-coding RNAs and complex diseases: from experimental results to computational models

X Chen, CC Yan, X Zhang, ZH You - Briefings in bioinformatics, 2017 - academic.oup.com
LncRNAs have attracted lots of attentions from researchers worldwide in recent decades.
With the rapid advances in both experimental technology and computational prediction …

Hierarchical graph learning for protein–protein interaction

Z Gao, C Jiang, J Zhang, X Jiang, L Li, P Zhao… - Nature …, 2023 - nature.com
Abstract Protein-Protein Interactions (PPIs) are fundamental means of functions and
signalings in biological systems. The massive growth in demand and cost associated with …

Attention-based knowledge graph representation learning for predicting drug-drug interactions

X Su, L Hu, Z You, P Hu, B Zhao - Briefings in bioinformatics, 2022 - academic.oup.com
Drug–drug interactions (DDIs) are known as the main cause of life-threatening adverse
events, and their identification is a key task in drug development. Existing computational …

Drug–target interaction prediction: databases, web servers and computational models

X Chen, CC Yan, X Zhang, X Zhang, F Dai… - Briefings in …, 2016 - academic.oup.com
Identification of drug–target interactions is an important process in drug discovery. Although
high-throughput screening and other biological assays are becoming available …

Computational prediction of drug–target interactions using chemogenomic approaches: an empirical survey

A Ezzat, M Wu, XL Li, CK Kwoh - Briefings in bioinformatics, 2019 - academic.oup.com
Computational prediction of drug–target interactions (DTIs) has become an essential task in
the drug discovery process. It narrows down the search space for interactions by suggesting …

Novel human lncRNA–disease association inference based on lncRNA expression profiles

X Chen, GY Yan - Bioinformatics, 2013 - academic.oup.com
Motivation: More and more evidences have indicated that long–non-coding RNAs (lncRNAs)
play critical roles in many important biological processes. Therefore, mutations and …

Toward more realistic drug–target interaction predictions

T Pahikkala, A Airola, S Pietilä… - Briefings in …, 2015 - academic.oup.com
A number of supervised machine learning models have recently been introduced for the
prediction of drug–target interactions based on chemical structure and genomic sequence …

TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models

ZJ Yao, J Dong, YJ Che, MF Zhu, M Wen… - Journal of computer …, 2016 - Springer
Drug–target interactions (DTIs) are central to current drug discovery processes and public
health fields. Analyzing the DTI profiling of the drugs helps to infer drug indications, adverse …

Democratizing protein language models with parameter-efficient fine-tuning

S Sledzieski, M Kshirsagar, M Baek… - Proceedings of the …, 2024 - National Acad Sciences
Proteomics has been revolutionized by large protein language models (PLMs), which learn
unsupervised representations from large corpora of sequences. These models are typically …