MOFGalaxyNet: a social network analysis for predicting guest accessibility in metal–organic frameworks utilizing graph convolutional networks

MOF Synthesis Prediction Enabled by Automatic Data Mining and Machine Learning

(2022) Yi Luo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

MOFSocialNet: Exploiting Metal-Organic Framework Relationships via Social Network Analysis

(2022) Mehrdad Jalali et al.   Nanomaterials

Evaluating provincial tourism competitiveness in China: an empirical application based on the EM-MGM-SNA model

(2022) Ye Tan et al.   ENVIRONMENT DEVELOPMENT AND SUSTAINABILITY

Does Diversity of Social Ties Really Matter More for Health and Leisure Activity than Number of Social Ties? Evidence from Later Adulthood

(2022) Colette J. Brown et al.   JOURNAL OF AGING AND HEALTH

Thermal Stability of Metal–Organic Frameworks (MOFs): Concept, Determination, and Model Prediction Using Computational Chemistry and Machine Learning

(2022) Harold U. Escobar-Hernandez et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration

(2022) Andrew S. Rosen et al.   npj Computational Materials

Machine Learning Approach to Community Detection in a High-Entropy Alloy Interaction Network

(2022) Raheleh Ghouchan Nezhad Noor Nia et al.   ACS Omega

Combining Machine Learning and Molecular Simulations to Unlock Gas Separation Potentials of MOF Membranes and MOF/Polymer MMMs

(2022) Hilal Daglar et al.   ACS Applied Materials & Interfaces

Catastrophic PM2.5 emissions from Siberian forest fires: Impacting factors analysis

(2022) Aleksey A. Romanov et al.   ENVIRONMENTAL POLLUTION

Fully Automated Optimization of Robot‐Based MOF Thin Film Growth via Machine Learning Approaches

(2022) Lena Pilz et al.   Advanced Materials Interfaces

Parasitism and host social behaviour: a meta-analysis of insights derived from social network analysis

(2021) Léa Briard et al.   ANIMAL BEHAVIOUR

Gas Adsorption Enhancement in Partially Amorphized Metal–Organic Frameworks

(2021) Saad Aldin Mohamed et al.   Journal of Physical Chemistry C

Syntax-type-aware graph convolutional networks for natural language understanding

(2021) Chunning Du et al.   APPLIED SOFT COMPUTING

Diversity of social networks versus quality of social support: Which is more protective for health-related quality of life among older adults?

(2021) Taeho Greg Rhee et al.   PREVENTIVE MEDICINE

Aspect-based sentiment analysis with graph convolution over syntactic dependencies

(2021) Anastazia Žunić et al.   ARTIFICIAL INTELLIGENCE IN MEDICINE

Common brain networks underlying human social interactions: Evidence from large-scale neuroimaging meta-analysis

(2021) Chunliang Feng et al.   NEUROSCIENCE AND BIOBEHAVIORAL REVIEWS

Spatial network structure of the tourism economy in urban agglomeration: A social network analysis

(2021) Chang Gan et al.   Journal of Hospitality and Tourism Management

Diversifying Databases of Metal Organic Frameworks for High-Throughput Computational Screening

(2021) Sauradeep Majumdar et al.   ACS Applied Materials & Interfaces

Sick and tired: sickness behaviour, polyparasitism and food stress in a gregarious mammal

(2021) Rosemary Blersch et al.   BEHAVIORAL ECOLOGY AND SOCIOBIOLOGY

The advantages of the Matthews correlation coefficient (MCC) over F1 score and accuracy in binary classification evaluation

(2020) Davide Chicco et al.   BMC GENOMICS

Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution

(2020) Daniele Ongari et al.   ACS Central Science

Graph Convolutional Networks for Hyperspectral Image Classification

(2020) Danfeng Hong et al.   IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING

Mordred: a molecular descriptor calculator

(2018) Hirotomo Moriwaki et al.   Journal of Cheminformatics

Molecular graph convolutions: moving beyond fingerprints

(2016) Steven Kearnes et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The Cambridge Structural Database

(2016) Colin R. Groom et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

(2015) Dávid Bajusz et al.   Journal of Cheminformatics

Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks

(2013) Michael Fernandez et al.   Journal of Physical Chemistry C

Accelerating analysis of void space in porous materials on multicore and GPU platforms

(2012) Richard L Martin et al.   INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS

Effect of Pore Topology and Accessibility on Gas Adsorption Capacity in Zeolitic−Imidazolate Frameworks: Bringing Molecular Simulation Close to Experiment

(2011) Ravichandar Babarao et al.   Journal of Physical Chemistry C

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

(2011) Thomas F. Willems et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Automatic Structure Analysis in High-Throughput Characterization of Porous Materials

(2010) Maciej Haranczyk et al.   Journal of Chemical Theory and Computation