XGBoost: An Optimal Machine Learning Model with Just Structural Features to Discover MOF Adsorbents of Xe/Kr

A Universal Machine Learning Algorithm for Large-Scale Screening of Materials

(2020) George S. Fanourgakis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Identification of Crystalline Materials with Ultra-Low Thermal Conductivity Based on Machine Learning Study

(2020) Xinming Wang et al.   Journal of Physical Chemistry C

Property-Oriented Material Design Based on a Data-Driven Machine Learning Technique

(2020) Qionghua Zhou et al.   Journal of Physical Chemistry Letters

Transfer Learning Study of Gas Adsorption in Metal–Organic Frameworks

(2020) Ruimin Ma et al.   ACS Applied Materials & Interfaces

New Discovery of Metal–Organic Framework UTSA-280: Ultrahigh Adsorption Selectivity of Krypton over Xenon

(2020) Xue-lian Xiong et al.   Journal of Physical Chemistry C

Machine learning classification can reduce false positives in structure-based virtual screening

(2020) Yusuf O. Adeshina et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Robust Machine Learning Models for Predicting High CO2 Working Capacity and CO2/H2 Selectivity of Gas Adsorption in Metal Organic Frameworks for Pre-Combustion Carbon Capture

(2019) Hana Dureckova et al.   Journal of Physical Chemistry C

Combining large-scale screening and machine learning to predict the metal-organic frameworks for organosulfurs removal from high-sour natural gas

(2019) Hong Liang et al.   APL Materials

Metal–organic framework derived nanoporous carbons with highly selective adsorption and separation of xenon

(2018) Youjin Gong et al.   Journal of Materials Chemistry A

Machine learning for molecular and materials science

(2018) Keith T. Butler et al.   NATURE

Molecular Simulations of MOF Membranes and Performance Predictions of MOF/Polymer Mixed Matrix Membranes for CO2/CH4 Separations

(2018) Cigdem Altintas et al.   ACS Sustainable Chemistry & Engineering

Metal–organic framework with optimally selective xenon adsorption and separation

(2016) Debasis Banerjee et al.   Nature Communications

Geometrical Properties Can Predict CO2 and N2 Adsorption Performance of Metal–Organic Frameworks (MOFs) at Low Pressure

(2016) Michael Fernandez et al.   ACS Combinatorial Science

What Are the Best Materials To Separate a Xenon/Krypton Mixture?

(2015) Cory M. Simon et al.   CHEMISTRY OF MATERIALS

Understanding the Adsorption Mechanism of Xe and Kr in a Metal–Organic Framework from X-ray Structural Analysis and First-Principles Calculations

(2015) Sanjit K. Ghose et al.   Journal of Physical Chemistry Letters

Design and Characterization of Two Bifunctional Cryptophane A-Based Host Molecules for Xenon Magnetic Resonance Imaging Applications

(2014) Federica Rossella et al.   ChemPlusChem

Therapeutic Time Window and Dose Dependence of Xenon Delivered via Echogenic Liposomes for Neuroprotection in Stroke

(2013) Tao Peng et al.   CNS Neuroscience & Therapeutics

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

Structure–property relationships of porous materials for carbon dioxide separation and capture

(2012) Christopher E. Wilmer et al.   Energy & Environmental Science

Effects of Polarizability on the Adsorption of Noble Gases at Low Pressures in Monohalogenated Isoreticular Metal–Organic Frameworks

(2012) Scott T. Meek et al.   Journal of Physical Chemistry C

Switching Kr/Xe Selectivity with Temperature in a Metal–Organic Framework

(2012) Carlos A. Fernandez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Adsorption equilibria of O2, Ar, Kr and Xe on activated carbon and zeolites: single component and mixture data

(2011) R. E. Bazan et al.   ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

Facile xenon capture and release at room temperature using a metal–organic framework: a comparison with activated charcoal

(2011) Praveen K. Thallapally et al.   CHEMICAL COMMUNICATIONS

Carbon Dioxide Capture in Metal–Organic Frameworks

(2011) Kenji Sumida et al.   CHEMICAL REVIEWS

Postsynthetic Modification of a Metal–Organic Framework for Stabilization of a Hemiaminal and Ammonia Uptake

(2011) William Morris et al.   INORGANIC CHEMISTRY

A study of capillary discharge lamps in Ar–Hg and Xe–Hg mixtures

(2011) N Denisova et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Regression shrinkage and selection via the lasso: a retrospective

(2011) Robert Tibshirani   JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-STATISTICAL METHODOLOGY

Large-scale screening of hypothetical metal–organic frameworks

(2011) Christopher E. Wilmer et al.   Nature Chemistry

Modifying MOFs: new chemistry, new materials

(2010) Seth M. Cohen   Chemical Science

Xenon for induction of anaesthesia

(2009) J. H. Rasmussen et al.   ACTA ANAESTHESIOLOGICA SCANDINAVICA

A Closed-Circuit Neonatal Xenon Delivery System: A Technical and Practical Neuroprotection Feasibility Study in Newborn Pigs

(2009) Ela Chakkarapani et al.   ANESTHESIA AND ANALGESIA

Selective Gas Adsorption and Unique Structural Topology of a Highly Stable Guest-Free Zeolite-Type MOF Material with N-rich Chiral Open Channels

(2008) Jian-Rong Li et al.   CHEMISTRY-A EUROPEAN JOURNAL