Results 221 to 230 of about 6,659,086 (346)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

Reservoir Stochastic Simulation Based on Octave Convolution and Multistage Generative Adversarial Network. [PDF]

Sci Rep
Wu X, Fan W, Peng S, Qin B, Wang Q, Li M, Li Y.   +6 more
europepmc   +1 more source

Stochastic Improvement of Cyclic Railway Timetables

Real-time railway operations are subject to stochastic disturbances. However, a railway timetable is a deterministic plan. Thus a timetable should be designed in such a way that it can cope with the stochastic disturbances as well as possible.
Dekker, R., Vromans, M.J.C.M., Kroon, L.G., Retel Helmrich, M., Maroti, G.   +4 more
core  

Bayesian Analysis of the Stochastic Conditional Duration Model [PDF]

A Bayesian Markov Chain Monte Carlo methodology is developed for estimating the stochastic conditional duration model. The conditional mean of durations between trades is modelled as a latent stochastic process, with the conditional distribution of ...
Chris M. Strickland, Catherine S. Forbes, Gael M. Martin   +2 more
core  

Topology‐Enriched Toughness Enhancement in Quasi‐Periodic Metastructures Featuring Tailorable Strong‐Weak Network

Advanced Science, EarlyView.
A quasi‐periodic Dart‐Kite (QDK) metastructure with a golden‐ratio‐constrained strong–weak bond network simultaneously enhances strength, toughness, and damage tolerance. Its distributed topology enables predictable, tailorable crack paths for precise fracture control and stable mechanics, demonstrating a high‐performance, controllable architecture ...
Tianyu Gao, Genda Wang, Jiabao Bai, Kai Liu   +3 more
wiley   +1 more source

Stochastic simulation modeling of the economics of providing additional living space for housed dairy cows. [PDF]

Front Vet Sci
Thompson JS, Hudson CD, Huxley JN, Kaler J, Green MJ.   +4 more
europepmc   +1 more source

Stochastic simulation of successive waves of COVID-19 in the province of Barcelona

, 2021
Bosman M, Esteve A, Gabbanelli L, Jordan X, López-Gay A, Manera M, Martínez M, Masjuan P, Mir L, Paradells J, Pignatelli A, Riu I, Vitagliano V.   +12 more
europepmc   +1 more source

PRODUCER'S PREFERENCE FOR A COTTON FARMER OWNED RESERVE: AN APPLICATION OF SIMULATION AND STOCHASTIC DOMINANCE

The benefits to a typical High Plains cotton farmer from a cotton farmer owned reserve were estimated using a firm-level, income tax and farm policy simulation model.
Nixon, Clair J., Richardson, James W.
core  

Allosteric DNAzyme‐Enabled Sensitive and Multiplex Detection of Biomarkers for Rapid Diagnosis of Urinary Tract Infections

Advanced Science, EarlyView.
A catalytic allosteric DNAzyme assay (SMART) is developed by engineering DNAzyme into a unimolecular biosensor, enabling highly sensitive and multiplex detection of small molecules and nucleic acids. SMART enables extraction‐free, one‐pot, one‐step, isothermal, and cost‐effective detection of biological markers, achieving >95% accuracy for rapid ...
Yanzhe Shen, Chenzhi Shi, Xiaowei Ma, Pengfei Hou, Haomin Zhang, Juanxiu Qin, Li Pan, Guilin Li, Lifei Gao, Qian Ma, Donglei Yang, Min Li, Pengfei Wang   +12 more
wiley   +1 more source

Investigating a propagation of emerging carbapenemase-producing Enterobacteriaceae in Dutch broiler production pyramid through stochastic simulation. [PDF]

One Health
Dankittipong N, Stegeman JA, de Vos CJ, Wagenaar JA, Fischer EAJ.   +4 more
europepmc   +1 more source