AIMC Topic: Machine Learning

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The chronODE framework for modelling multi-omic time series with ordinary differential equations and machine learning.

Nature communications
Many genome-wide studies capture isolated moments in cell differentiation or organismal development. Conversely, longitudinal studies provide a more direct way to study these kinetic processes. Here, we present an approach for modeling gene-expressio...

Application of machine learning in early childhood development research: a scoping review.

BMJ open
BACKGROUND: Early childhood development (ECD) lays the foundation for lifelong health, academic success and social well-being, yet over 250 million children in low- and middle-income countries are at risk of not reaching their developmental potential...

Establishing Clinically Distinct Patient Treatment Subgroups Following Anterior Cruciate Ligament Reconstruction: A Machine Learning Clustering Analysis.

The American journal of sports medicine
BACKGROUND: Treatment decisions in patients with anterior cruciate ligament (ACL) injuries are influenced by multiple factors, such as the desire to return to sports or symptomatic instability. Identifying the differential treatment effect of ACL rec...

Quantum Descriptor-Based Machine-Learning Modeling of Thermal Hazard of Cyclic Sulfamidates.

Journal of chemical information and modeling
Cyclic sulfamidates are commonly used building blocks in organic synthesis. Correct classification of their thermal criticality is crucial for the safe use of these compounds in process development and scale-up. In this study, building on our earlier...

Machine Learning on the Impacts of Mutations in the SARS-CoV-2 Spike RBD on Binding Affinity to Human ACE2 Based on Deep Mutational Scanning Data.

Biochemistry
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) continues to accumulate mutations in the spike receptor-binding domain (RBD) region, leading to the emergence of new variants that potentially change the binding affinity for the human angi...

JointDiffusion: Joint representation learning for generative, predictive, and self-explainable AI in healthcare.

Computerized medical imaging and graphics : the official journal of the Computerized Medical Imaging Society
Joint machine learning models that allow synthesizing and classifying data often offer uneven performance between those tasks or are unstable to train. In this work, we depart from a set of empirical observations that indicate the usefulness of inter...

Advancing Whole-Cell Biosensors: Kinetics-Dependent Metabolic SERS Analytics for Pollutant Differentiation and Quantification.

Analytical chemistry
Whole-cell biosensors (WCBs), which detect targeting analytes through cellular responses, have become powerful tools for environmental monitoring. However, existing WCBs often rely on the single-channel low-dimension signal outputs (e.g., fluorescenc...

Machine Learning-Assisted Prediction of Mercury Removal Efficiency of Carbon-Based Adsorbents.

Environmental science & technology
Adsorbent injection is the most promising technology for solving anthropogenic mercury (mainly Hg) emission from stationary sources. Carbon-based adsorbents have strong potential for Hg removal due to their high specific surface area and abundant fun...

Automated Determination of the Molecular Substructure from Nuclear Magnetic Resonance Spectra Using Neural Networks.

Journal of chemical information and modeling
Nuclear magnetic resonance (NMR) spectroscopy is an indispensable tool for determining the structural characteristics of a molecule by analyzing its chemical shifts. A wealth of NMR spectra therefore exists and continues to amass on a daily basis, at...

A Machine-Learning-Algorithm Enhanced Multi-Functional Gas Sensor for Self-Humidity Compensation and Partial Discharge Detection.

ACS sensors
Gas-Insulated switchgear (GIS) is prone to partial discharges (PDs) in high electric field environments, and the concentration of generated NO is an essential indicator for determining the PD types and severity of faults. Notably, environmental humid...