AIMC Topic: Machine Learning

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Comparing regression, naive Bayes, and random forest methods in the prediction of individual survival to second lactation in Holstein cattle.

Journal of dairy science
In this study, we compared multiple logistic regression, a linear method, to naive Bayes and random forest, 2 nonlinear machine-learning methods. We used all 3 methods to predict individual survival to second lactation in dairy heifers. The data set ...

Reaction-Based Enumeration, Active Learning, and Free Energy Calculations To Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin-Dependent Kinase 2 Inhibitors.

Journal of chemical information and modeling
The hit-to-lead and lead optimization processes usually involve the design, synthesis, and profiling of thousands of analogs prior to clinical candidate nomination. A hit finding campaign may begin with a virtual screen that explores millions of comp...

Use of machine learning to analyse routinely collected intensive care unit data: a systematic review.

Critical care (London, England)
BACKGROUND: Intensive care units (ICUs) face financial, bed management, and staffing constraints. Detailed data covering all aspects of patients' journeys into and through intensive care are now collected and stored in electronic health records: mach...

Applying machine learning to predict future adherence to physical activity programs.

BMC medical informatics and decision making
BACKGROUND: Identifying individuals who are unlikely to adhere to a physical exercise regime has potential to improve physical activity interventions. The aim of this paper is to develop and test adherence prediction models using objectively measured...

Fractal dimension of cerebral white matter: A consistent feature for prediction of the cognitive performance in patients with small vessel disease and mild cognitive impairment.

NeuroImage. Clinical
Patients with cerebral small vessel disease (SVD) frequently show decline in cognitive performance. However, neuroimaging in SVD patients discloses a wide range of brain lesions and alterations so that it is often difficult to understand which of the...

Synthesis of Electrocardiogram V-Lead Signals From Limb-Lead Measurement Using R-Peak Aligned Generative Adversarial Network.

IEEE journal of biomedical and health informatics
Recently, portable electrocardiogram (ECG) hardware devices have been developed using limb-lead measurements. However, portable ECGs provide insufficient ECG information because of limitations in the number of leads and measurement positions. Therefo...

Energy-Geometry Dependency of Molecular Structures: A Multistep Machine Learning Approach.

ACS combinatorial science
There is growing interest in estimating quantum observables while circumventing expensive computational overhead for facile in silico materials screening. Machine learning (ML) methods are implemented to perform such calculations in shorter times. He...

Prognostic networks for unraveling the biological mechanisms of Sarcopenia.

Mechanisms of ageing and development
Sarcopenia is an age-related multifactorial process that involved several biological mechanisms, whose specific contribution and interplay is still unknown. The present study proposes prognostic networks based on machine learning approaches to unrave...

A non-linear mathematical model using optical sensor to predict heart decellularization efficacy.

Scientific reports
One of the main problems of the decellularization technique is the subjectivity of the final evaluation of its efficacy in individual organs. This problem can result in restricted cell repopulation reproducibility and worse responses to transplant ti...

Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships.

Journal of computer-aided molecular design
In this work, computational compound screening strategies on the basis of two- and three-dimensional (2D and 3D) molecular representations were investigated including similarity searching and support vector machine (SVM) ranking. Calculations based o...