AI Medical Compendium Journal:
PLoS computational biology

Showing 91 to 100 of 484 articles

A multimodal Transformer Network for protein-small molecule interactions enhances predictions of kinase inhibition and enzyme-substrate relationships.

PLoS computational biology
The activities of most enzymes and drugs depend on interactions between proteins and small molecules. Accurate prediction of these interactions could greatly accelerate pharmaceutical and biotechnological research. Current machine learning models des...

Artificial neural networks for model identification and parameter estimation in computational cognitive models.

PLoS computational biology
Computational cognitive models have been used extensively to formalize cognitive processes. Model parameters offer a simple way to quantify individual differences in how humans process information. Similarly, model comparison allows researchers to id...

Machine learning and multi-omics data reveal driver gene-based molecular subtypes in hepatocellular carcinoma for precision treatment.

PLoS computational biology
The heterogeneity of Hepatocellular Carcinoma (HCC) poses a barrier to effective treatment. Stratifying highly heterogeneous HCC into molecular subtypes with similar features is crucial for personalized anti-tumor therapies. Although driver genes pla...

A systematic analysis of regression models for protein engineering.

PLoS computational biology
To optimize proteins for particular traits holds great promise for industrial and pharmaceutical purposes. Machine Learning is increasingly applied in this field to predict properties of proteins, thereby guiding the experimental optimization process...

Machine-learning and mechanistic modeling of metastatic breast cancer after neoadjuvant treatment.

PLoS computational biology
Clinical trials involving systemic neoadjuvant treatments in breast cancer aim to shrink tumors before surgery while simultaneously allowing for controlled evaluation of biomarkers, toxicity, and suppression of distant (occult) metastatic disease. Ye...

Ensemble learning and ground-truth validation of synaptic connectivity inferred from spike trains.

PLoS computational biology
Probing the architecture of neuronal circuits and the principles that underlie their functional organization remains an important challenge of modern neurosciences. This holds true, in particular, for the inference of neuronal connectivity from large...

UNNT: A novel Utility for comparing Neural Net and Tree-based models.

PLoS computational biology
The use of deep learning (DL) is steadily gaining traction in scientific challenges such as cancer research. Advances in enhanced data generation, machine learning algorithms, and compute infrastructure have led to an acceleration in the use of deep ...

Recurrent neural networks that learn multi-step visual routines with reinforcement learning.

PLoS computational biology
Many cognitive problems can be decomposed into series of subproblems that are solved sequentially by the brain. When subproblems are solved, relevant intermediate results need to be stored by neurons and propagated to the next subproblem, until the o...

Learning spatio-temporal patterns with Neural Cellular Automata.

PLoS computational biology
Neural Cellular Automata (NCA) are a powerful combination of machine learning and mechanistic modelling. We train NCA to learn complex dynamics from time series of images and Partial Differential Equation (PDE) trajectories. Our method is designed to...

Emergent neural dynamics and geometry for generalization in a transitive inference task.

PLoS computational biology
Relational cognition-the ability to infer relationships that generalize to novel combinations of objects-is fundamental to human and animal intelligence. Despite this importance, it remains unclear how relational cognition is implemented in the brain...