Graph properties

In this study, we explore the potential of graph neural networks (GNNs), in combination with transfer learning, for the prediction of molecular solubility, a crucial property in drug discovery and materials science. Our approach begins with the development of a GNN-based model to predict the dipole moment of molecules.

8p viwalton 02-07-2024 3 1   Download

Part 2 of ebook "Structural concrete: Materials; mix design; plain, reinforced and prestressed concrete; design tables" provides readers with contents including: cement manufacture; properties of cement and fine and coarse aggregates; the design of concrete mixes and properties of fresh (or wet) concrete; numerous design tables and graphs, both for general use and for aiding design with British Standard CP 110. (These are listed in Appendix 1 to assist location.);...

107p mothoiphong 28-06-2024 1 1   Download

Ebook Calculus presents the following content: Chapter 1 basic properties of numbers, chapter 2 numbers of various sorts, chapter 3 functions, chapter 4 graphs, chapter 5 limits, chapter 6 continuous functions, chapter 7 three hard theorems, chapter 8 least upper bounds, chapter 9 derivatives, chapter 10 differentiation, chapter 11 significance of the derivative, chapter 12 inverse functions, chapter 13 integrals,...

630p zizaybay1103 29-05-2024 3 2   Download

Ebook Control theory and systems biology: Part 1 includes content: A primer on control engineering, modeling and analysis of stochastic biochemical networks, spatial modeling, quantifying properties of cell signaling cascades, graph s and the dynamics of biochemical networks,... and other contents.

157p longtimenosee03 01-02-2024 2 0   Download

Part 1 book "Beginning and intermediate algebra" includes content: Real numbers and their basic properties; equations and inequalities; graphing and solving systems of equations and inequalities; polynomials; factoring polynomials; proportion and rational expressions; more equations, inequalities, and factoring

519p muasambanhan07 08-02-2024 4 0   Download

Ebook Measure Theory and Functional Analysis: Part 2 presents the following content: The Open Mapping Theorem; The Closed Graph Theorem; The Conjugate of an Operator; The Uniform Boundedness Theorem; Hilbert Spaces The Definition and Some Simple Properties; Self Adjoint Operators;...Please refer to the documentation for more details.

161p chankora 16-06-2023 4 1   Download

Advanced Algorithms Analysis and Design - Lecture 27: Huffman coding problem and graph theory. In this lecture we will cover the following: constructing a huffman codes; optimal substructure property; road trip problem; graph theoretic concepts; complete bipartite graph; isomorphic invariant;...

37p andromedashun 26-05-2022 11 1   Download

The detection of protein complexes is of great significance for researching mechanisms underlying complex diseases and developing new drugs. Thus, various computational algorithms have been proposed for protein complex detection.

28p visilicon2711 20-08-2021 8 1   Download

Microbiomes play vital roles in shaping environments and stabilize them based on their compositions and inter-species relationships among its species. Variations in microbial properties have been reported to have significant impact on their host environment.

13p viansan2711 30-07-2021 14 1   Download

We study the area-minimizing property of slices in the weighted warped product manifold (R+ ×f Rn, e−ϕ), assuming that the density function e−ϕ and the warping function f satisfy some additional conditions. Based on a calibration argument, a slice {t0} × Gn is proved weighted areaminimizing in the class of all entire graphs satisfying a volume balance condition and some Bernstein type theorems in R+ ×f Gn and G+ ×f Gn, when f is constant, are obtained.

10p nguaconbaynhay11 07-04-2021 13 2   Download

In this paper, we defined a new graph labelling and named it as closed divisor graph. Let G = (V, E) be a finite undirected (nonempty) graph. A graph G is said to be a closed divisor graph if there exists a vertex labeling using a set S of positive integers, called a quotients of G, such that two vertices are adjacent if and only if one vertex divides the other and their quotient is in the set S. In this paper, we study the properties of closed divisor graph and construct closed divisor labeling for several basic simple graphs and special graphs.

13p nguaconbaynhay11 07-04-2021 9 1   Download

Thanks to recent developments in genomic sequencing technologies, the number of protein sequences in public databases is growing enormously. To enrich and exploit this immensely valuable data, it is essential to annotate these sequences with functional properties such as Enzyme Commission (EC) numbers, for example.

15p vicolorado2711 22-10-2020 8 1   Download

In this paper, we present ppiGReMLIN, a graph based strategy to infer interaction patterns in a set of protein-protein complexes. Our method combines an unsupervised learning strategy with frequent subgraph mining in order to detect conserved structural arrangements (patterns) based on the physicochemical properties of atoms on protein interfaces.

25p vicolorado2711 22-10-2020 14 0   Download

The lattice parameter and cell volume are in resemblance trend with the variation of the dopant concentration. The similar trend is observed for the crystallite and particle size. The porosity and sintered density, however, vary in an opposite way with a variation of the dopant concentration. The same variation is found for the drift mobility and DC resistivity.

9p tamynhan4 06-09-2020 14 3   Download

After this chapter the student should have acquired the following knowledge and skills: Measuring software complexity, desirable properties of complexity metrics, cyclomatic complexity, converting code to graph, unit testing: path coverage,...

31p koxih_kothogmih3 24-08-2020 14 1   Download

In computer science, a binary tree is a tree data structure in which each node has at most two children, which are referred to as the left child and the right child. In this talk, we will look at the binary tree data structure: Definition, properties, a few applications (Ropes, expression trees).

57p nanhankhuoctai9 23-06-2020 22 0   Download

Lecture Principles of distributed database systems - Chapter 17: Web data management. In this chapter students will be able to: Web data management, web models, web search and querying, distributed XML processing, properties of web data, web graph, web data modeling, search engine architecture,...

55p nanhankhuoctai1 06-05-2020 22 2   Download

In this paper, a spatial saliency-guided motion-compensated deinterlacing method is proposed which accounts for the properties of the Human Visual System (HVS): Our algorithm classifies the field according to its texture and viewer’s region of interest and adapts the motion estimation and compensation, as well as the saliency-guided interpolation to ensure high-quality frame reconstruction.

9p vititan2711 13-08-2019 12 0   Download

(BQ) Continued part 1, part 2 of the document Design principles of biological circuits and introduction to systems biology has contents: Robust patterning in development, kinetic proofreading, optimal gene circuit design, demand rules for gene regulation, graph properties of transcription networks,... and other contents.

141p thuongdanguyetan05 05-07-2019 11 2   Download

Some algebraic properties of the ideals of Veronese bi-type arising from graphs with loops are studied. More precisely, the property of these ideals to be bi-polymatroidal is discussed. Moreover, we are able to determine the structure of the ideals of vertex covers for such generalized graph ideals.

13p danhdanh27 07-01-2019 22 1   Download