Results 171 to 180 of about 1,163,826 (301)

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

Material Removal Aspects and Cutting Power Requirement of Profile Independent Wood-Moulding

open access: yes, 2010
This paper investigates the cutting power requirement for the Profile Independent Wood-Moulding Machine (PIMM). Chip severing phenomena is described and the factors affecting the cutting forces in rotary wood machining are surveyed.
Taşcıoğlu, Yiğit, Jackson, Mike R.
core  

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

Catalyst‐Specialized Chemical Language Model Based on Transformer Variational Autoencoder for Catalyst Design and Discovery

open access: yesAdvanced Intelligent Discovery, EarlyView.
We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
wiley   +1 more source

Smart Denture with Embedded Thin‐Film Temperature Sensors Patterned by Femtosecond Laser Pulse for Elderly Healthcare

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
We demonstrate the direct‐laser patterning of a gold thin film on polymethyl methacrylate to fabricate a temperature sensor for dentures. The temperature sensor‐embedded smart dentures are evaluated in an oral environment, enabling in‐situ monitoring for elderly healthcare.
Han Ku Nam   +7 more
wiley   +1 more source

Comminution and Screening of Wood Chips

open access: yesEnergy Exploration & Exploitation, 1991
C. Hankin, C.P. Mitchell
openaire   +1 more source

Comparative Analysis of Model‐Agnostic Explanation Methods in Materials Science

open access: yesAdvanced Intelligent Systems, EarlyView.
To address the critical lack of explainable artificial intelligence (XAI) benchmarks in materials science, we present a quantitative and qualitative analysis of six XAI methods applied to molecular fingerprints. Our results reveal significant discrepancies in feature importance rankings, demonstrating that the chosen explanation approach introduces ...
Anna Przybyłowska   +7 more
wiley   +1 more source

Cutting of Frozen Wood

open access: yes, 2005
The objective of this master's thesis was to develop a system for measuring the cutting forces of frozen wood. In northern parts of the world cuttingof frozen wood is one of the major problem.
Tati, Kiran
core  

A Soft Robotic Finger With Deep Learning‐Enhanced Tactile Sensing for Texture and Softness Recognition

open access: yesAdvanced Intelligent Systems, EarlyView.
Inspired by human touch, a tendon‐driven soft robotic finger combines multimodal tactile sensing and deep learning to simultaneously perceive texture and softness on deformable surfaces. A CNN‐LSTM model fuses pressure, accelerometer, and gyroscope signals to accurately classify material properties, achieving up to 95.4% texture and 97.0% softness ...
Gorkem Anil Al   +3 more
wiley   +1 more source

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