Results 171 to 180 of about 1,163,826 (301)
Embedded Morgan Fingerprints for More Efficient Molecular Property Predictions With Machine Learning
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
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
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
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
Effects of Apple, Oak, and Mesquite Wood Chips on the Physicochemical Properties, Volatile Organic Compounds, and Sensory Characteristics of Brined Smoked Goat Meat. [PDF]
Park J +5 more
europepmc +1 more source
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
C. Hankin, C.P. Mitchell
openaire +1 more source
Comparative Analysis of Model‐Agnostic Explanation Methods in Materials Science
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
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
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

