Results 11 to 20 of about 60,798 (279)

Building Block and Building Rule: Dual Descriptor Method for Biological Sequence Analysis [PDF]

Nature Precedings, 2008
The emergence of “Systems Biology” in recent years highlights the systematic viewpoint of bio-system modeling. Building on such a background, Dual Descriptor Method, a generic methodology for biological sequence analysis is proposed. From a
Bin-Guang Ma
core   +4 more sources

Machine learning-assisted dual-atom sites design with interpretable descriptors unifying electrocatalytic reactions

Nature Communications
Low-cost, efficient catalyst high-throughput screening is crucial for future renewable energy technology. Interpretable machine learning is a powerful method for accelerating catalyst design by extracting physical meaning but faces huge challenges.
Xiaoyun Lin, Xiaowei Du, Shican Wu, Shiyu Zhen, Wei Liu, Chunlei Pei, Peng Zhang, Zhi-Jian Zhao, Jinlong Gong   +8 more
doaj   +3 more sources

Multi-scale superpatch matching using dual superpixel descriptors [PDF]

Pattern Recognition Letters, 2020
Over-segmentation into superpixels is a very effective dimensionality reduction strategy, enabling fast dense image processing. The main issue of this approach is the inherent irregularity of the image decomposition compared to standard hierarchical multi-resolution schemes, especially when searching for similar neighboring patterns. Several works have
Rémi Giraud, Merlin Boyer, Michaël Clément   +2 more
openaire   +2 more sources

Polarimetric Decomposition With an Urban Area Descriptor for Compact Polarimetric SAR Data

IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing, 2021
The compact polarimetric (CP) synthetic aperture radar (SAR) can alleviate the drawbacks of the fully polarimetric (FP) SAR and provide more target information as compared to the conventional single polarimetric and dual polarimetric mode.
Qiang Yin, Jie Xu, Deliang Xiang, Yongsheng Zhou, Fan Zhang   +4 more
doaj   +1 more source

Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated Derivative

Frontiers in Chemistry, 2018
This computational study assessed eight fixed RSH (range-separated hybrid) density functionals that include CAM-B3LYP, LC-ωPBE, M11, MN12SX, N12SX, ωB97, ωB97X, and ωB97XD related to the Def2TZVP basis sets together with the SMD solvation model in the ...
Juan Frau, Daniel Glossman-Mitnik, Daniel Glossman-Mitnik   +2 more
doaj   +1 more source

Synergy of dual-atom catalysts deviated from the scaling relationship for oxygen evolution reaction

Nature Communications, 2023
Dual-atom catalysts, particularly those with heteronuclear active sites, have the potential to outperform the well-established single-atom catalysts for oxygen evolution reaction, but the underlying mechanistic understanding is still lacking.
Cong Fang, Jian Zhou, Lili Zhang, Wenchao Wan, Yuxiao Ding, Xiaoyan Sun   +5 more
doaj   +1 more source

New Dual Descriptor for Chemical Reactivity

The Journal of Physical Chemistry A, 2004
In this paper, a new dual descriptor for nucleophilicity and electrophilicity is introduced. The new index is defined in terms of the variation of hardness with respect to the external potential, and it is written as the difference between nucleophilic and electrophilic Fukui functions, thus being able to characterize both reactive behaviors.
Morell, Christophe, Grand, André, Toro-Labbé, Alejandro   +2 more
openaire   +6 more sources

Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT

Molecules, 2018
This computational study presents the assessment of eleven density functionals that include CAM-B3LYP, LC-wPBE, M11, M11L, MN12L, MN12SX, N12, N12SX, wB97, wB97X and wB97XD related to the Def2TZVP basis sets together with the Solvation Model Density (SMD)
Juan Frau, Daniel Glossman-Mitnik
doaj   +1 more source

On computing minimal realizations of periodic descriptor systems [PDF]

, 2007
: We propose computationally efficient and numerically reliable algorithms to compute minimal realizations of periodic descriptor systems. The main computational tool employed for the structural analysis of periodic descriptor systems (i.e., reachability
Varga, Andreas
core   +1 more source

Recognising the Clothing Categories from Free-Configuration Using Gaussian-Process-Based Interactive Perception [PDF]

, 2016
In this paper, we propose a Gaussian Process- based interactive perception approach for recognising highly- wrinkled clothes. We have integrated this recognition method within a clothes sorting pipeline for the pre-washing stage of an autonomous ...
Aragon-Camarasa, Gerardo, Rogers, Simon, Siebert, Jan Paul, Sun, Li   +3 more
core   +1 more source