Results 181 to 190 of about 122,064 (264)

Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

Advanced Intelligent Discovery, EarlyView.
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley   +1 more source

Addressing flaws in the Seq2Topt dataset for the prediction of enzyme optimal temperature. [PDF]

Brief Bioinform
Zhou P.
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

StrucPTM: a database of structurally validated protein modifications and their conformational variation. [PDF]

Bioinformatics
Jeon SG, Yoo J, Joo K, Paek E.
europepmc   +1 more source

Evaluating Three Foundation Potentials for Predicting Selected Properties of the Co–Ni–Ru Alloy System

Advanced Intelligent Discovery, EarlyView.
Distributions of intrinsic stacking fault energies (ISFE) among different slip planes in the face‐centered cubic Co2Ni2Ru alloy, predicted by three foundation potentials (DPA, Orb, and SevenNet) and density functional theory (DFT) calculations. This study evaluates the efficacy of three foundation potentials (FPs)—SevenNet, DPA, and Orb—in predicting ...
Subah Mubassira, Thu Nguyen, Anvesh Nathani, Shoutian Sun, Ming Hu, Yanqing Su, Bin Wang, Iman Ghamarian, Shuozhi Xu   +8 more
wiley   +1 more source

HyDRA: A pipeline for integrating long- and short-read RNAseq data for custom transcriptome assembly. [PDF]

iScience
Almeida I, Lu X, Edwards SL, French JD, Bitar M.   +4 more
europepmc   +1 more source

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

Advanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez, Cibrán López, Edgardo Saucedo, Teruyasu Mizoguchi, Claudio Cazorla   +4 more
wiley   +1 more source

Transposable element dynamics drive rapid evolution of centromere architecture in the Avena genus. [PDF]

Genome Biol
Wehrkamp CM, Heuberger M, Wicker T.
europepmc   +1 more source

The Interoperability Challenge in DFT Workflows Across Implementations

Advanced Intelligent Discovery, EarlyView.
Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen, Tushar Singh Thakur, Manuel Dillenz, Johan M. Carlsson, Celso R. C. Rêgo, Eibar Flores, Hamidreza Hajiyani, Felix Hanke, Juan María García Lastra, Wolfgang Wenzel, Nicola Marzari, Tejs Vegge, Giovanni Pizzi, Ivano E. Castelli   +13 more
wiley   +1 more source

Behavioral dataset for Long-Evans and its schizophrenia-like substrain through several generations. [PDF]

Sci Data
Kőrösi G, Czimbalmos O, Kekesi G, Horvath G.   +3 more
europepmc   +1 more source