Results 171 to 180 of about 3,326,748 (262)

Embedded Morgan Fingerprints for More Efficient Molecular Property Predictions With Machine Learning

open access: yesAdvanced Intelligent Discovery, EarlyView.
High dimensionality of Morgan fingerprints causes overfitting and slow training. Embedded Morgan Fingerprint (eMFP) compresses this encoding while keeping key structural information intact. Tested on five regression models across three databases for HOMO–LUMO gap prediction, eMFP outperforms standard fingerprints, training faster on large, high ...
Emilio Nuñez‐Andrade   +4 more
wiley   +1 more source

CPT Codes for Pediatric Orthopaedics. [PDF]

open access: yesJ Pediatr Soc North Am
Dale Blasier R, Neal K.
europepmc   +1 more source

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

open access: yesAdvanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi   +3 more
wiley   +1 more source

Large‐Scale Machine Learning to Screen for Small‐Molecule Senolytics

open access: yesAdvanced 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

Smart Bioinspired Material‐Based Actuators: Current Challenges and Prospects

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
This work gathers, in a review style, an extensive and comprehensive literature overview on the development of autonomous actuators based on synthetic materials, bringing together valuable knowledge from several studies. Furthermore, the article identifies the fundamental principles of actuation mechanisms and defines key parameters to address the size
Alejandro Palacios   +4 more
wiley   +1 more source

Self‐Sensing Artificial‐Muscle‐Empowered Humanlike Perception, Interaction, and Positioning

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
The proposed self‐sensorized artificial muscle (SSAM) can sense its length change as small as 0.01 mm via a seamlessly integrated multi‐segment induction coil. The SSAM provides accurate length information regardless of its loadings, driving pressure, or muscle design, adequate for robust data‐driven feedback control.
Houping Wu   +6 more
wiley   +1 more source

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