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Revolutionizing pharmacology: AI-powered approaches in molecular modeling and ADMET prediction
Published 2025-12-01“…It outlines the evolution of computational chemistry and the transformative role of AI in interpreting complex molecular data, automating feature extraction, and improving decision-making across the drug development pipeline. Core AI algorithms support vector machines, random forests, graph neural networks, and transformers are examined for their applications in molecular representation, virtual screening, and ADMET property prediction. …”
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42
Trisomy 21 screening with αlpha software and the Fetal Medicine Foundation algorithm
Published 2023-11-01“…Different algorithms are used to screen for trisomy 21 in South Africa (SA). …”
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43
Lightweight defect detection algorithm of tunnel lining based on knowledge distillation
Published 2024-11-01“…Aiming at the problems of complex detection model, poor real-time performance and low accuracy of the current tunnel lining defect detection methods, the study proposes a lightweight defect detection algorithm of tunnel lining based on knowledge distillation. …”
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Development and Internal Validation of a Machine Learning-Based Colorectal Cancer Risk Prediction Model
Published 2025-03-01“…<b>Methods:</b> We analyzed data from 154,887 adults, aged 55–74 years, who participated in the Prostate, Lung, Colorectal, and Ovarian (PLCO) Cancer Screening Trial. A risk prediction model was built using the Light Gradient Boosting Machine (LightGBM) algorithm. …”
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45
Predictive Models for Educational Purposes: A Systematic Review
Published 2024-12-01“…The findings show that ML algorithms consistently outperform traditional models due to their capacity to handle large, non-linear datasets and continuously enhance predictive accuracy as new patterns emerge. …”
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A neural network model enables worm tracking in challenging conditions and increases signal-to-noise ratio in phenotypic screens.
Published 2025-08-01“…Here we train a version of the DeepTangle algorithm developed for swimming worms using a combination of data derived from Tierpsy tracker and hand-annotated data for more difficult cases. …”
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Predictive model for determining the indications for automated 3D ultrasound for screening patients at low risk of developing breast tumors
Published 2024-06-01“…To develop indications for 3D ultrasound based on predictive screening models for patients with a low risk of developing breast tumors based on the identification of the most significant risk factors.Patients and methods. …”
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Development and Validation of a Cost-Effective Machine Learning Model for Screening Potential Rheumatoid Arthritis in Primary Healthcare Clinics
Published 2025-02-01“…Using 10 classical machine learning algorithms, we developed screening models. Evaluation metrics determined the best model. …”
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Screening of multi deep learning-based de novo molecular generation models and their application for specific target molecular generation
Published 2025-02-01“…Abstract Traditional virtual screening methods need to explore expanse and vast chemical spaces and need to be based on existing chemical libraries. …”
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Defects Detection in Screen-Printed Circuits Based on an Enhanced YOLOv8n Algorithm
Published 2025-05-01“…To address these challenges, a self-made SPC defect data set and an enhanced CAAB-YOLOv8n detection algorithm were developed. …”
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Semiparametric Transformation Models with a Change Point for Interval-Censored Failure Time Data
Published 2025-08-01“…Model parameters are estimated via the EM algorithm, with the change point identified through a profile likelihood approach using grid search. …”
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Cell‐free epigenomes enhanced fragmentomics‐based model for early detection of lung cancer
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Research on formant estimation algorithm for high order optimal LPC root value screening
Published 2022-06-01“…In terms of the robustness of the algorithm and the overall performance comparison of different methods,the proposed algorithm can extract the formant robustly from order 9 to 22, and the model algorithm shows the optimal performance when the formant is extracted from order 18. …”
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Prediction and Screening of Lead-Free Double Perovskite Photovoltaic Materials Based on Machine Learning
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Application of Improved Electromagnetism-like Mechanism Algorithm on Massive Remote Sensing Image Screening
Published 2025-03-01“…To improve the screening efficiency, people usually adopt the greedy algorithm for data screening, which may lead to becoming trapped in a local optimal solution. …”
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A cost-utility analysis of newborn screening for spinal muscular atrophy in Canada
Published 2025-08-01“…Methods A decision analytic model was developed, which combined a decision tree for the screening algorithm and a Markov model for long-term health outcomes. …”
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A recurrent neural network and parallel hidden Markov model algorithm to segment and detect heart murmurs in phonocardiograms.
Published 2024-11-01“…These properties make the algorithm a promising tool for screening of abnormal heart murmurs.…”
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Bone scintigraphy based on deep learning model and modified growth optimizer
Published 2024-10-01“…The results and statistical analysis revealed that the proposed GOAOA algorithm as an FS technique outperforms the other FS algorithms employed in this study.…”
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DKK3 and SERPINB5 as novel serum biomarkers for gastric cancer: facilitating the development of risk prediction models for gastric cancer
Published 2025-03-01“…The existing gastric cancer (GC) risk prediction models based on biomarkers are limited. This study aims to identify new promising biomarkers for GC to develop a risk prediction model for effective assessment, screening, and early diagnosis. …”
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