Large‐Scale Machine Learning to Screen for Small‐Molecule Senolytics
Advanced Intelligent Discovery, EarlyView.A consistent workflow underpins all experiments in this study. A dedicated model‐selection dataset first identifies optimal hyperparameters for each algorithm. Models are then trained and rigorously evaluated on independent sets of molecules using the senolytic ratio SR. Comprehensive hyperparameter exploration across SMILES representations, task types,
Alexis Dougha +2 more
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Dynamic Bayesian Networks, Elicitation, and Data Embedding for Secure Environments. [PDF]
Entropy (Basel)Drury K, Smith JQ.
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Advanced Intelligent Discovery, EarlyView.Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi +2 more
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Scenario construction and evolutionary analysis of nonconventional public health emergencies based on Bayesian networks. [PDF]
Front Public HealthZhu Y +5 more
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Advanced Intelligent Discovery, EarlyView.This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo +3 more
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Behavioral Analysis of Postgraduate Education Satisfaction: Unveiling Key Influencing Factors with Bayesian Networks and Feature Importance. [PDF]
Behav Sci (Basel)Li S, Wang T, Yin H, Ding S, Cai Z.
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Advanced Intelligent Discovery, EarlyView.Artificial intelligence is redefining network pharmacology (NP). By integrating knowledge graph engineering, geometric deep learning, multiomics anchoring, and generative reasoning, AI‐driven NP (AI‐NP) transforms static target mapping into dynamic, predictive modeling.
Cong Wang +9 more
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Acute Myeloid Leukemia Genome Characterization Study and Subtype Classification Employing Feature Selection and Bayesian Networks. [PDF]
BiomedicinesLi Z, Li J, Li S, Wang Y, Wang J.
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Clinicopathological characteristics associated with intrapulmonary metastasis rather than single primary lung cancer at first diagnosis: a study based on the Surveillance, Epidemiology, and End Results database using Bayesian networks and structural equation modeling. [PDF]
Transl Lung Cancer ResLiu W +6 more
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