Results 281 to 290 of about 31,311,017 (343)

Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices

Journal of Chemical Information and Computer Sciences, 2001
The molecular weight and electrotopological E-state indices were used to estimate by Artificial Neural Networks aqueous solubility for a diverse set of 1291 organic compounds. The neural network with 33-4-1 neurons provided highly predictive results with r(2) = 0.91 and RMS = 0.62.
I V, Tetko, V Y, Tanchuk, T N, Kasheva, A E, Villa   +3 more
openaire   +2 more sources

E-State Modeling of Fish Toxicity Independent of 3D Structure Information

SAR and QSAR in Environmental Research, 2003
Topological structure methods are used to model fish toxicity against three classes of organic chemicals. The models were obtained independent of 3D structure information. Further, no mechanism of partitioning was assumed, thus avoiding the problems associated with selection of partitioning system for computation of log P.
K, Rose, L H, Hall
openaire   +2 more sources

Ultrastable Anode Interface Achieved by Fluorinating Electrolytes for All-Solid-State Li Metal Batteries

, 2020
All-solid-state Li metal batteries (ASSLMBs) have attracted significant attention because of their high energy density and improved safety.
Feipeng Zhao, Qian Sun, Chuang Yu, Shumin Zhang, Keegan Adair, Sizhe Wang, Yulong Liu, Yang Zhao, Jianwen Liang, Changhong Wang, Xiaona Li, Xia Li, Wei Xia, Ruying Li, Huan Huang, Li Zhang, Shangqian Zhao, Shi-gang Lu, X. Sun   +18 more
semanticscholar   +1 more source

E-State: Distributed state management in elastic network function deployments

2016 IEEE NetSoft Conference and Workshops (NetSoft), 2016
Elastic deployments of virtualized network functions (VNFs) can automatically scale the amount of used resources in relation to their workload. This is often done by starting new VNF instances or stopping old ones. A problem of these scale operations is that most network functions are stateful and their internal state is not automatically migrated when
Peuster, Manuel, Karl, Holger
openaire   +1 more source

Exploring QSAR of melatonin receptor ligand benzofuran derivatives using E-state index

Bioorganic & Medicinal Chemistry Letters, 2004
Considering the recent challenge to the medicinal chemists for the development of selective melatonin receptor ligands, an attempt has been made to explore physicochemical requirements of benzofuran derivatives for binding with human MT1 and MT2 receptor subtypes and also to explore selectivity requirements.
Chandana, Sengupta, J Thomas, Leonard, Kunal, Roy   +2 more
openaire   +2 more sources

Altered (e)States

2014
ALTERED ESTATES The late 20th Century was obsessed with biological models for how architecture could adapt to its surroundings. In Metabolism for example, the impetus driving adaptation and morphological transformation is the work’s psychological impact.
Lee, C, Erdman, DCM
openaire   +1 more source

Regulating Spin State of Fe(III) by Atomically Anchoring on Ultrathin Titanium Dioxide for Efficient Oxygen Evolution Electrocatalysis.

Angewandte Chemie, 2019
Ferric oxides and (oxy)hydroxides, although very vast reserve and low cost, are rarely considered for oxygen evolution reaction (OER) due to the too high spin sate (e g filling ~2.0) suppressing the bonding strength with reaction intermediates.
Guoqiang Shen, Rongrong Zhang, Lun Pan, Fang Hou, Yingjie Zhao, Zeyu Shen, W. Mi, Chengxiang Shi, Qingfa Wang, Xiangwen Zhang, Jijun Zou   +10 more
semanticscholar   +1 more source

Advances in E-state structuralism: further studies in dominance structure formation

Social Networks, 1994
Abstract E-state structuralism is a theoretical method that analyzes the formation and dissolution of network ties by merging the abstract core of expectation states theory with social network analysis. The method has been used to model dominance structure formation in infra-human populations.
Thomas J. Fararo, John Skvoretz, Kenji Kosaka   +2 more
openaire   +1 more source

The job demands-resources model : state of the art

, 2007
A. Bakker, E. Demerouti
semanticscholar   +1 more source

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations.

Journal of Chemical Theory and Computation, 2012
Bill R. Miller, T. McGee, Jason M. Swails, Nadine Homeyer, H. Gohlke, A. Roitberg   +5 more
semanticscholar   +1 more source