Results 201 to 210 of about 32,466 (306)

MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design

open access: yesAdvanced 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

Multimodal Learning with Rashomon Analysis for Battery Discharge Capacity Prediction

open access: yesAdvanced Intelligent Discovery, EarlyView.
Multimodal fusion integrates composition, crystal‐structure, and radial‐distribution descriptors to predict battery discharge capacity. Rashomon analysis across near‐optimal models reveals that explanatory variation is structured rather than arbitrary, separating stable mechanistic signals from model‐contingent attributions and providing a more ...
Jue Gong   +4 more
wiley   +1 more source

Cartesian Doubt and Scepticism [PDF]

open access: yes, 1999
Alanen, Lilli,
core  

Artificial Intelligence‐Driven Network Pharmacology: A Methodological Paradigm Shift Bridging Traditional Wisdom and Modern Science

open access: yesAdvanced 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
wiley   +1 more source

A Hybrid Transfer Learning Framework for Brain Tumor Diagnosis

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
A novel hybrid transfer learning approach for brain tumor classification achieves 99.47% accuracy using magnetic resonance imaging (MRI) images. By combining image preprocessing, ensemble deep learning, and explainable artificial intelligence (XAI) techniques like gradient‐weighted class activation mapping and SHapley Additive exPlanations (SHAP), the ...
Sadia Islam Tonni   +11 more
wiley   +1 more source

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