Related references
Note: Only part of the references are listed.Machine Learning Enabled Tailor-Made Design of Application-Specific Metal-Organic Frameworks
Xiangyu Zhang et al.
ACS APPLIED MATERIALS & INTERFACES (2020)
Robust Metal-Triazolate Frameworks for CO2 Capture from Flue Gas
Zhaolin Shi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Hydrophobic Metal-Organic Frameworks: Assessment, Construction, and Diverse Applications
Lin-Hua Xie et al.
ADVANCED SCIENCE (2020)
The Synthesizability of Molecules Proposed by Generative Models
Wenhao Gao et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Optimization of Molecules via Deep Reinforcement Learning
Zhenpeng Zhou et al.
SCIENTIFIC REPORTS (2019)
Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal-Organic Framework Database: CoRE MOF 2019
Yongchul G. Chung et al.
JOURNAL OF CHEMICAL AND ENGINEERING DATA (2019)
Data-driven design of metal-organic frameworks for wet flue gas CO2 capture
Peter G. Boyd et al.
NATURE (2019)
Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks
Marwin H. S. Segler et al.
ACS CENTRAL SCIENCE (2018)
Computational Screening of Metal-Organic Frameworks for Membrane-Based CO2/N2/H2O Separations: Best Materials for Flue Gas Separation
Hilal Daglar et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
Rafael Gomez-Bombarelli et al.
ACS CENTRAL SCIENCE (2018)
Inverse molecular design using machine learning: Generative models for matter engineering
Benjamin Sanchez-Lengeling et al.
SCIENCE (2018)
Hunting for Organic Molecules with Artificial Intelligence: Molecules Optimized for Desired Excitation Energies
Masato Sumita et al.
ACS CENTRAL SCIENCE (2018)
The ChEMBL database in 2017
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2017)
High-Throughput Computational Screening of Metal-Organic Frameworks for Thiol Capture
Zhiwei Qiao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Hydrolytically stable fluorinated metal-organic frameworks for energy-efficient dehydration
Amandine Cadiau et al.
SCIENCE (2017)
ChemTS: an efficient python library for de novo molecular generation
Xiufeng Yang et al.
SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS (2017)
Molecular de-novo design through deep reinforcement learning
Marcus Olivecrona et al.
JOURNAL OF CHEMINFORMATICS (2017)
Water-resistant porous coordination polymers for gas separation
Jingui Duan et al.
COORDINATION CHEMISTRY REVIEWS (2017)
Advances in high permeability polymer-based membrane materials for CO2 separations
Shaofei Wang et al.
ENERGY & ENVIRONMENTAL SCIENCE (2016)
UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity
Sigurd Oien-Odegaard et al.
INORGANIC CHEMISTRY (2016)
Mastering the game of Go with deep neural networks and tree search
David Silver et al.
NATURE (2016)
Materials design by evolutionary optimization of functional groups in metal-organic frameworks
Sean P. Collins et al.
SCIENCE ADVANCES (2016)
In Silico Discovery of High Deliverable Capacity Metal Organic Frameworks
Yi Bao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
High-throughput computational screening of metal-organic frameworks
Yamil J. Colon et al.
CHEMICAL SOCIETY REVIEWS (2014)
Construction and Characterization of Structure Models of Crystalline Porous Polymers
Richard Luis Martin et al.
CRYSTAL GROWTH & DESIGN (2014)
Applied Topological Analysis of Crystal Structures with the Program Package ToposPro
Vladislav A. Blatov et al.
CRYSTAL GROWTH & DESIGN (2014)
Perspective of microporous metal-organic frameworks for CO2 capture and separation
Zhangjing Zhang et al.
ENERGY & ENVIRONMENTAL SCIENCE (2014)
In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials
Richard L. Martin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
A Porous Metal-Organic Framework with Dynamic Pyrimidine Groups Exhibiting Record High Methane Storage Working Capacity
Bin Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Mail-Order Metal-Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules
Richard L. Martin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
The Chemistry and Applications of Metal-Organic Frameworks
Hiroyasu Furukawa et al.
SCIENCE (2013)
Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials
Richard Luis Martin et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
ZINC: A Free Tool to Discover Chemistry for Biology
John J. Irwin et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Large-scale screening of hypothetical metal-organic frameworks
Christopher E. Wilmer et al.
NATURE CHEMISTRY (2012)
A Survey of Monte Carlo Tree Search Methods
Cameron B. Browne et al.
IEEE TRANSACTIONS ON COMPUTATIONAL INTELLIGENCE AND AI IN GAMES (2012)
Carbon dioxide capture-related gas adsorption and separation in metal-organic frameworks
Jian-Rong Li et al.
COORDINATION CHEMISTRY REVIEWS (2011)
Enhancing the stability of metal-organic frameworks in humid air by incorporating water repellent functional groups
Tianjiao Wu et al.
CHEMICAL COMMUNICATIONS (2010)
Can Metal-Organic Framework Materials Play a Useful Role in Large-Scale Carbon Dioxide Separations?
Seda Keskin et al.
CHEMSUSCHEM (2010)
Membrane technologies for CO2 separation
A. Brunetti et al.
JOURNAL OF MEMBRANE SCIENCE (2010)
Moisture-Resistant and Superhydrophobic Metal-Organic Frameworks Obtained via Postsynthetic Modification
Joseph G. Nguyen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
Peter Ertl et al.
JOURNAL OF CHEMINFORMATICS (2009)
Pilot plant studies of the CO2 capture performance of aqueous MEA and mixed MEA/MDEA solvents at the University of Regina CO2 capture technology development plant and the Boundary Dam CO2 capture demonstration
R Idem et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2006)
Share Paper
