Results 11 to 20 of about 7,950,423 (253)
How can polydispersity information be integrated in the QSPR modeling of mechanical properties?
Science and Technology of Advanced Materials: Methods, 2022 Polymer informatics is an emerging discipline that has benefited from the strong development that data science has experienced over the last decade. Machine learning methods are useful to infer QSPR (Quantitative Structure-Property Relationships) models ...
F. Cravero +4 more
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
Andras Varga, Varga, Andreas
core +1 more source
Remote Sensing, 2020 This study aimed to analyze existing microwave surface (Oh, Dubois, Water Cloud Model “WCM”, Integral Equation Model “IEM”) and canopy (Water Cloud Model “WCM”, Single Scattering Radiative Transfer “SSRT”) Radiative Transfer (RT) models and assess ...
Thomas Weiß +3 more
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Application of Information—Theoretic Concepts in Chemoinformatics
Information, 2010 The use of computational methodologies for chemical database mining and molecular similarity searching or structure-activity relationship analysis has become an integral part of modern chemical and pharmaceutical research.
Jürgen Bajorath +2 more
doaj +1 more source
Positivity of Continuous-Time Descriptor Systems With Time Delays [PDF]
, 2014 This technical note is concerned with positivity characteristic of continuous-time descriptor systems with time delays. First, a set of necessary and sufficient conditions is presented to check the property.
Yan, Xinggang +3 more
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Bounded real lemmas for positive descriptor systems [PDF]
, 2015 A well known result in the theory of linear positive systems is the existence of positive definite diagonal matrix (PDDM) solutions to some well known linear matrix inequalities (LMIs).
Yan, Xinggang +3 more
core +1 more source
Descriptor-Driven de Novo Design Algorithms for DOCK6 Using RDKit
, 2023 Structure-based methods that employ principles of de novo design can be used to construct small organic molecules from scratch using pre-existing fragment libraries to sample chemical space and are an important class of computational algorithms for drug ...
Guilherme Duarte Ramos Matos (3947738) +2 more
core +1 more source
Method of graph vertices differentiation and solution of the isomorphism problem
Известия Томского политехнического университета: Инжиниринг георесурсов, 2019 Modelling the relations between the structure of the object and its properties is one of the current problems in the modern applied graph theory. The problem of identification and evaluation of structures similarity plays the important role in solving ...
Andrey Pogrebnoy, Vladimir Pogrebnoy
doaj +2 more sources
Pediatric Blood &Cancer, EarlyView.ABSTRACT As part of the European Cooperative Study Group for Paediatric Rare Tumours initiative, we developed standard clinical practice guidelines for ovarian sex cord stromal tumors, based on comprehensive national and international cohort analyses, literature review, and a final expert consensus conference.
Dominik T. Schneider +15 more
wiley +1 more source
mordred-descriptor/mordred: descriptor arithmetic
, 2017 new feature <ul> <li>issue doi using zenodo (fe8e2fe)</li> <li>descriptor arithmetic (7e10cb4)</li> <li>descriptor name dictionary (59a0e82)</li> </ul> broken changes <ul> <li>raise error when ...
philopon
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