Results 251 to 260 of about 3,401,419 (278)

Database Organization and Similarity Searching with E-State Indices

ChemInform, 2001
Any approach to the quantitation of atoms or fragments within a molecule must be built upon the context and their relationships operating within this complex system. We can view each atom present in a molecule as existing in a field within a molecule in which all other atoms share and participate.
Lemond B. Kier, Llowell H. Hall
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The E-State as an Extended Free Valence

Journal of Chemical Information and Computer Sciences, 1997
The relationship between the electrotopological state index (E-state) and the molecular orbital based index of free valence is examined. The dependence of both on electronegativity and topology are developed from comparative values. Calculations of both indices for a diverse set of conjugated carbons reveal a significant correlation.
Lemont B. Kier, Lowell H. Hall
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Social structure, networks, and E‐state structuralism models

The Journal of Mathematical Sociology, 1996
The method of E‐state structuralism provides dynamic models for the evolution and development of networks in small groups. Our interest lies in the kind of social networks that these models produce. We ask the question of whether such models produce “interesting” structure from a network point‐of‐view, in particular, from the perspective of Holland and
John Skvoretz, Katherine Faust, Thomas J. Fararo   +2 more
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Modeling Drug Albumin Binding Affinity with E-State Topological Structure Representation

Journal of Chemical Information and Computer Sciences, 2003
The binding affinity to human serum albumin for 94 drugs was modeled with topological descriptors of molecular structure, using as experimental data the HPLC chromatographic retention index [logk(HSA)] on immobilized albumin. The electrotopological state (E-State) along with the molecular connectivity chi indices provided the basis for a satisfactory ...
L Mark, Hall, Lowell H, Hall, Lemont B, Kier   +2 more
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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
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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
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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
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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
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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
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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
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