Harnessing Machine Learning to Understand and Design Disordered Solids
Advanced Intelligent Discovery, EarlyView.This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley +1 more source
Comparative QSPR study of food preservatives using topological indices and regression models. [PDF]
Sci RepGayathri KB, Roy S.
europepmc +1 more source
AI‐Driven Cancer Multi‐Omics: A Review From the Data Pipeline Perspective
Advanced Intelligent Discovery, EarlyView.The exponential growth of cancer multi‐omics data brings opportunities and challenges for precision oncology. This review systematically examines AI's role in addressing these challenges, covering generative models, integration architectures, Explainable AI for clinical trust, clinical applications, and key directions for clinical translation.
Shilong Liu, Shunxiang Li, Kun Qian
wiley +1 more source
Predictive power of parametric temperature based topological indices with applications in structure property modeling of anti tuberculosis drugs. [PDF]
Sci RepHayat S, Alanazi SJF, Belay MB, Wang S.
europepmc +1 more source
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
wiley +1 more source
Quantitative structure property relationship and multiattribute decision analysis of antianginal drugs using topological indices. [PDF]
Sci RepRasheed MW +4 more
europepmc +1 more source
MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design
Advanced Intelligent Discovery, EarlyView.MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa +2 more
wiley +1 more source
Computational analysis of metal organic framework and covalent organic framework using degree based topological indices with QSPR validation. [PDF]
Sci RepTu Y +5 more
europepmc +1 more source
Towards Advanced Intelligent and Perceptive Soft Grippers
Advanced Intelligent Systems, EarlyView.Implementing soft yet strong and intelligent soft grippers request innovative and creative solutions in designing soft bodies and seamlessly integrating actuated systems with hierarchical sensing. This review systematically analyses soft grippers with a deep understanding of core components, from fundamental design principles to actuation and sensing ...
Haneul Kim +4 more
wiley +1 more source