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Research article

First published 2004-11

Modeling molecular polarizabilities with graph-theoretical concepts

Lionello Pogliani

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2024-11-18

MTS-Net: An enriched topology-aware architecture for molecular graph representation learning

Fan Yang, Qing Zhou, Renbin Su [...]

Journal of Intelligent & Fuzzy Systems: Applications in Engineering and Technology

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Research article

First published 2007-9

Molecular graphs of Li n clusters (n=2–6) from the density and the molecular electrostatic potential

Patrizia Calaminici, Victor Daniel Dominguez-Soria, Gerald Geudtner [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2005-2

Introducing complete graphs in molecular connectivity studies

Lionello Pogliani

Journal of Computational Methods in Sciences and Engineering

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Research article

First published

Reverse Engineering Molecular Regulatory Networks from Microarray Data with qp-Graphs

Robert Castelo, Alberto Roverato

Journal of Computational Biology

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Research article

First published 2025-05

Compressed Representation of Extreme Learning Machine with Self-Diffusion Graph Denoising Applied for Dissecting Molecular Heterogeneity

Xin Duan, Xinnan Ding, Yuelin Lu

Journal of Computational Biology

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Research article

First published 2008-7

The depleted hydrogen atoms in chemical graph theory

Lionello Pogliani

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2003-01

Graph Data Management for Molecular Biology

Frank Olken

OMICS: A Journal of Integrative Biology

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Research article

First published 2005-2

Graph representations of molecular similarity measures based on topological resolution

Paul G. Mezey

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2017-11

On the computation of degree and distance mixing indices of Harary graphs and coronene polycyclic aromatic hydrocarbons

Hualong Wu, Jianzhou Gan, Bo Zhao [...]

Journal of Intelligent & Fuzzy Systems: Applications in Engineering and Technology

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