AIMC Topic: Neural Networks, Computer

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PiTE: TCR-epitope Binding Affinity Prediction Pipeline using Transformer-based Sequence Encoder.

Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
Accurate prediction of TCR binding affinity to a target antigen is important for development of immunotherapy strategies. Recent computational methods were built on various deep neural networks and used the evolutionary-based distance matrix BLOSUM t...

Multi-treatment Effect Estimation from Biomedical Data.

Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
Several biomedical applications contain multiple treatments from which we want to estimate the causal effect on a given outcome. Most existing Causal Inference methods, however, focus on single treatments. In this work, we propose a neural network th...

Improving target-disease association prediction through a graph neural network with credibility information.

Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
Identifying effective target-disease associations (TDAs) can alleviate the tremendous cost incurred by clinical failures of drug development. Although many machine learning models have been proposed to predict potential novel TDAs rapidly, their cred...

Contrastive learning of protein representations with graph neural networks for structural and functional annotations.

Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
Although protein sequence data is growing at an ever-increasing rate, the protein universe is still sparsely annotated with functional and structural annotations. Computational approaches have become efficient solutions to infer annotations for unlab...

A Primer on Deep Learning-Based Cellular Image Classification of Changes in the Spatial Distribution of the Golgi Apparatus After Experimental Manipulation.

Methods in molecular biology (Clifton, N.J.)
The visual classification of cell images according to differences in the spatial patterns of subcellular structure is an important methodology in cell and developmental biology. Experimental perturbation of cell function can induce changes in the spa...

DockNet: high-throughput protein-protein interface contact prediction.

Bioinformatics (Oxford, England)
MOTIVATION: Over 300 000 protein-protein interaction (PPI) pairs have been identified in the human proteome and targeting these is fast becoming the next frontier in drug design. Predicting PPI sites, however, is a challenging task that traditionally...

dnadna: a deep learning framework for population genetics inference.

Bioinformatics (Oxford, England)
MOTIVATION: We present dnadna, a flexible python-based software for deep learning inference in population genetics. It is task-agnostic and aims at facilitating the development, reproducibility, dissemination and re-usability of neural networks desig...

DeepRank-GNN: a graph neural network framework to learn patterns in protein-protein interfaces.

Bioinformatics (Oxford, England)
MOTIVATION: Gaining structural insights into the protein-protein interactome is essential to understand biological phenomena and extract knowledge for rational drug design or protein engineering. We have previously developed DeepRank, a deep-learning...

Perceiver CPI: a nested cross-attention network for compound-protein interaction prediction.

Bioinformatics (Oxford, England)
MOTIVATION: Compound-protein interaction (CPI) plays an essential role in drug discovery and is performed via expensive molecular docking simulations. Many artificial intelligence-based approaches have been proposed in this regard. Recently, two type...

Digitally predicting protein localization and manipulating protein activity in fluorescence images using 4D reslicing GAN.

Bioinformatics (Oxford, England)
MOTIVATION: While multi-channel fluorescence microscopy is a vital imaging method in biological studies, the number of channels that can be imaged simultaneously is limited by technical and hardware limitations such as emission spectra cross-talk. On...