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An evolutionary algorithm for the discovery of porous organic cages

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Functional Molecular Flasks: New Properties and Reactions within Discrete, Self‐Assembled Hosts

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Computer‐Aided Design of a Sulfate‐Encapsulating Receptor

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Shape‐Persistent Organic Cage Compounds by Dynamic Covalent Bond Formation

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Large Self‐Assembled Chiral Organic Cages: Synthesis, Structure, and Shape Persistence

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A Permanent Mesoporous Organic Cage with an Exceptionally High Surface Area

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Covalent Organic Frameworks and Cage Compounds: Design and Applications of Polymeric and Discrete Organic Scaffolds

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Assembly of Water‐Soluble, Dynamic, Covalent Container Molecules and Their Application in the Room‐Temperature Stabilization of Protoadamantene

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stk : A python toolkit for supramolecular assembly

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A homochiral porous organic cage with large cavity and pore windows for the efficient gas chromatography separation of enantiomers and positional isomers

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Computer-aided design of host molecules for recognition of organic guests

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Porous Organic Cages for Gas Chromatography Separations

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Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future

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Formation Mechanisms and Defect Engineering of Imine-Based Porous Organic Cages

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Discovery and Optimization of Materials Using Evolutionary Approaches

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Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation

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Transition State Theory Methods To Measure Diffusion in Flexible Nanoporous Materials: Application to a Porous Organic Cage Crystal

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Computational Screening of Porous Organic Molecules for Xenon/Krypton Separation

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Computationally-Guided Synthetic Control over Pore Size in Isostructural Porous Organic Cages

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How Evolutionary Crystal Structure Prediction Works—and Why

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Evolutionary Design of Molecules with Desired Properties Using the Genetic Algorithm

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Extended-Connectivity Fingerprints

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HostDesigner: A Program for the de Novo Structure-Based Design of Molecular Receptors with Binding Sites that Complement Metal Ion Guests

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De Novo Structure-Based Design of Bisurea Hosts for Tetrahedral Oxoanion Guests

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An Evolutionary Algorithm for de Novo Optimization of Functional Transition Metal Compounds

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Porous Organic Cages for Sulfur Hexafluoride Separation

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Molecular Design of Amorphous Porous Organic Cages for Enhanced Gas Storage

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Efficient Computational Screening of Organic Polymer Photovoltaics

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Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases

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Porous organic cages: soluble, modular and molecular pores

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Modular and predictable assembly of porous organic molecular crystals

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Liquids with permanent porosity

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Functional materials discovery using energy–structure–function maps

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Molecular shape sorting using molecular organic cages

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Chemistry inside molecular containers in the gas phase

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Evolution of oil droplets in a chemorobotic platform

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Crystal structure prediction from first principles

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Porous organic cages

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Separation of rare gases and chiral molecules by selective binding in porous organic cages

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Structural design principles for self-assembled coordination polygons and polyhedra

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Organic cage compounds – from shape-persistency to function

inferredcites →https://doi.org/10.1039/c4cc06225fopenalex-snapshot

A fluorescent organic cage for picric acid detection

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Predicted crystal energy landscapes of porous organic cages

inferredcites →https://doi.org/10.1039/c6ce00064aopenalex-snapshot

Computational identification of organic porous molecular crystals

inferredcites →https://doi.org/10.1039/c6nr09072aopenalex-snapshot

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Towards stable porous crystalline phases of molecular belts

inferredcites →https://doi.org/10.1039/c7cs00084gopenalex-snapshot

Application of computational methods to the design and characterisation of porous molecular materials

inferredcites →https://doi.org/10.1039/c7nr00703eopenalex-snapshot

Topological landscapes of porous organic cages

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Simulated evolution of fluorophores for light emitting diodes

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inferredcites →https://doi.org/10.1246/cl.150021openalex-snapshot

Synthesis and Applications of Porous Organic Cages

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What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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