Results 181 to 190 of about 81,918 (262)

Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties

Advanced Intelligent Discovery, EarlyView.
This study reveals that sampling strategy (i.e., sampling size and approach) is a foundational prerequisite for building accurate and generalizable AI models in peptide discovery. Reaching a threshold of 7.5% of the total tetrapeptide sequence space was essential to ensure reliable predictions.
Meiru Yan, Ankeer Abuduhebaier, Haojin Zhou, Jiaqi Wang   +3 more
wiley   +1 more source

iDeepLC: Chemical Structure Information Yields Improved Retention Time Prediction of Peptides with Unseen Modifications. [PDF]

Anal Chem
Nameni A, Declercq A, Gabriels R, Devreese R, Degroeve S, De Maesschalck A, Dhaenens M, Chiva C, Sabidó E, Martens L, Bouwmeester R.   +10 more
europepmc   +1 more source

Data‐Driven High‐Throughput Volume Fraction Estimation From X‐Ray Diffraction Patterns

Advanced Intelligent Discovery, EarlyView.
Long exposure times and the need for manual evaluation limit the use of X‐ray diffraction in high‐throughput applications. This study presents a data‐driven approach addressing both issues. HiVE (a method for High‐throughput Volume fraction Estimation) performs composition estimation for high‐noise XRD patterns produced using polychromatic emission ...
Hawo H. Höfer, André Orth, Robert Wang, Ben Breitung, Simon Schweidler, Jasmin Aghassi‐Hagmann, Markus Reischl   +6 more
wiley   +1 more source

A deep neural network and AIS-integrated method for ship trajectory prediction and yaw warning in cross-river power transmission line protection. [PDF]

PLoS One
Rui Y, Zhaofeng L, Xunyun L, Zehuai L.
europepmc   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Integrative AI driven microbiome analysis for optimizing sports nutrition and enhancing athletic performance through personalized dietary interventions. [PDF]

Front Nutr
Zhang Y, Wang H, Deng T.
europepmc   +1 more source

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

Advanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova, Michael Nicholls, Nicola Russo, Gueorgui Mihaylov, Konstantin Nikolic   +4 more
wiley   +1 more source

Machine learning for quantitative LIBS analysis of aluminum alloys: a comparison of random forest, gradient boosting, and extremely randomized trees. [PDF]

Sci Rep
Capella AG, López MM, de Damborenea González JJ, Arenas MÁ, Diego IG.   +4 more
europepmc   +1 more source

Machine Learning Driven Inverse Design of Broadband Acoustic Superscattering

Advanced Intelligent Discovery, EarlyView.
Multilayer acoustic superscatterers are designed using machine learning to achieve broadband superscattering and strong sound insulation. By incorporating a weighted mean absolute error into the loss function, the forward and inverse neural networks accurately map structural parameters to spectral responses.
Lijuan Fan, Xiangliang Zhang, Ying Wu
wiley   +1 more source

Strategic mitigation of water ingress in the Mae Tang-Mae Ngad-Mae Kuang Tunnel project

N. Monthanopparat, A. Thuaksiri, C. Tanomtin   +2 more
openaire   +1 more source