AIMC Topic: Computational Biology

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WDL-RF: predicting bioactivities of ligand molecules acting with G protein-coupled receptors by combining weighted deep learning and random forest.

Bioinformatics (Oxford, England)
MOTIVATION: Precise assessment of ligand bioactivities (including IC50, EC50, Ki, Kd, etc.) is essential for virtual screening and lead compound identification. However, not all ligands have experimentally determined activities. In particular, many G...

DeFine: deep convolutional neural networks accurately quantify intensities of transcription factor-DNA binding and facilitate evaluation of functional non-coding variants.

Nucleic acids research
The complex system of gene expression is regulated by the cell type-specific binding of transcription factors (TFs) to regulatory elements. Identifying variants that disrupt TF binding and lead to human diseases remains a great challenge. To address ...

O-GlcNAcPRED-II: an integrated classification algorithm for identifying O-GlcNAcylation sites based on fuzzy undersampling and a K-means PCA oversampling technique.

Bioinformatics (Oxford, England)
MOTIVATION: Protein O-GlcNAcylation (O-GlcNAc) is an important post-translational modification of serine (S)/threonine (T) residues that involves multiple molecular and cellular processes. Recent studies have suggested that abnormal O-G1cNAcylation c...

Visible Machine Learning for Biomedicine.

Cell
A major ambition of artificial intelligence lies in translating patient data to successful therapies. Machine learning models face particular challenges in biomedicine, however, including handling of extreme data heterogeneity and lack of mechanistic...

Applications of Deep Learning and Reinforcement Learning to Biological Data.

IEEE transactions on neural networks and learning systems
Rapid advances in hardware-based technologies during the past decades have opened up new possibilities for life scientists to gather multimodal data in various application domains, such as omics, bioimaging, medical imaging, and (brain/body)-machine ...

Co-complex protein membership evaluation using Maximum Entropy on GO ontology and InterPro annotation.

Bioinformatics (Oxford, England)
MOTIVATION: Protein-protein interactions (PPI) play a crucial role in our understanding of protein function and biological processes. The standardization and recording of experimental findings is increasingly stored in ontologies, with the Gene Ontol...

Biomedical informatics and machine learning for clinical genomics.

Human molecular genetics
While tens of thousands of pathogenic variants are used to inform the many clinical applications of genomics, there remains limited information on quantitative disease risk for the majority of variants used in clinical practice. At the same time, ris...

Computational identification of binding energy hot spots in protein-RNA complexes using an ensemble approach.

Bioinformatics (Oxford, England)
MOTIVATION: Identifying RNA-binding residues, especially energetically favored hot spots, can provide valuable clues for understanding the mechanisms and functional importance of protein-RNA interactions. Yet, limited availability of experimentally r...

GRAM-CNN: a deep learning approach with local context for named entity recognition in biomedical text.

Bioinformatics (Oxford, England)
MOTIVATION: Best performing named entity recognition (NER) methods for biomedical literature are based on hand-crafted features or task-specific rules, which are costly to produce and difficult to generalize to other corpora. End-to-end neural networ...

DeepSynergy: predicting anti-cancer drug synergy with Deep Learning.

Bioinformatics (Oxford, England)
MOTIVATION: While drug combination therapies are a well-established concept in cancer treatment, identifying novel synergistic combinations is challenging due to the size of combinatorial space. However, computational approaches have emerged as a tim...