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Combinatorial synthesis for AI-driven materials discovery
Combinatorial synthesis of solid-state materials comprises the use of automation or parallelization to systematically vary synthesis parameters. This...
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Combinatorial cation exchange for the discovery and rational synthesis of heterostructured nanorods
Precisely engineering heterostructured nanoparticles that incorporate different materials in specific configurations requires appropriate design...
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SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces
AbstractThe growing size of make-on-demand chemical libraries is posing new challenges to cheminformatics. These ultra-large chemical libraries...
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Development of an automated flow chemistry affinity-based purification process for DNA-encoded chemistry
An automated flow chemistry platform for DNA-encoded library (DEL) technologies requires the integration of a purification process for DNA-tagged...
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Radical Chemistry on Solid Support
This review covers recent advances in the field of radical chemistry on solid phase. Intermolecular processes using both immobilized radicals with...
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Supramolecular Chemistry of Fullerenes
The globular shape of fullerenes characterizes their unique chemical and physical properties, which have led to the development of container...
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Quinazoline Alkaloids and Related Chemistry
Recent progress in quinazoline alkaloids and related chemistry was reviewed focusing on developments of the synthetic methodologies and their...
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Revolution of Artificial Intelligence in Computational Chemistry Breakthroughs
The field of computational chemistry is one of many sectors that artificial intelligence (AI) has revolutionized in recent years. Chemists are now...
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Selenium chemistry for spatio-selective peptide and protein functionalization
The ability to construct a peptide or protein in a spatio-specific manner is of great interest for therapeutic and biochemical research. However, the...
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Miniaturizing chemistry and biology using droplets in open systems
Open droplet microfluidic systems manipulate droplets on the picolitre-to-microlitre scale in an open environment. They combine the...
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A Perspective on 30 Years of DNA-Encoded Chemistry
The history of DNA-encoded chemistry and its evolution into a universally accepted and broadly practised technology for ligand discovery in early...
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Silk chemistry and biomedical material designs
Silk fibroin has applications in different medical fields such as tissue engineering, regenerative medicine, drug delivery and medical devices....
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The Chemistry of 2-(1H)-Pyrazinones in Solution and on Solid Support
An overview on the microwave-enhanced synthesis and decoration of the 2(1H)-pyrazinone system is presented. Scaffold decoration using...
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The case for data science in experimental chemistry: examples and recommendations
The physical sciences community is increasingly taking advantage of the possibilities offered by modern data science to solve problems in...
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Exploring the combinatorial explosion of amine–acid reaction space via graph editing
Amines and carboxylic acids are abundant chemical feedstocks that are nearly exclusively united via the amide coupling reaction. The disproportionate...
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Supramolecular Chemistry of Fullerenes
The globular shape of fullerenes characterizes their unique chemical and physical properties, which have led to the development of container...
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Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK)
The concept of molecular scaffolds as defining core structures of organic molecules is utilised in many areas of chemistry and cheminformatics, e.g....
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Combinatorial enumeration of stereo, chiral and position isomers of polysubstituted halocarbons: applications to machine learning of proton and 35Cl NMR spectroscopy of halocarbons
Combinatorial enumerations of stereo, chiral and position isomers including meso compounds are considered for polysubstituted halocarbons, persistent...
