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Activity Prediction of Small Molecule Inhibitors for Antirheumatoid Arthritis Targets Based on Artificial Intelligence

期刊: ACS COMBINATORIAL SCIENCE, 2020; 22 (12)

Rheumatoid arthritis (RA) is a chronic autoimmune disease, which is compared to "immortal cancer" in industry. Currently, SYK, BTK, and JAK are the th......

Ni-Nitrilotriacetic Acid Affinity SELEX Method for Selection of DNA Aptamers Specific to the N-Cadherin Protein

期刊: ACS COMBINATORIAL SCIENCE, 2020; 22 (12)

Nudeic acid aptamers are single-stranded oligonudeotides that may be evolved for affinity and specificity for their targets and can be easily produced......

Total Synthesis of Semaglutide Based on a Soluble Hydrophobic-Support-Assisted Liquid-Phase Synthetic Method

期刊: ACS COMBINATORIAL SCIENCE, 2020; 22 (12)

Considering the high cost of the production of semaglutide, which is currently the most promising antidiabetic drug especially for the treatment of ty......

Identifying Optimal Strain in Bismuth Telluride Thermoelectric Film by Combinatorial Gradient Thermal Annealing and Machine Learning

期刊: ACS COMBINATORIAL SCIENCE, 2020; 22 (12)

The thermoelectric properties of bismuth telluride thin film (BTTF) was tuned by inducing internal strain through a combination of combinatorial gradi......

Sorting Technology for Circulating Tumor Cells Based on Microfluidics

期刊: ACS COMBINATORIAL SCIENCE, 2020; 22 (12)

Circulating tumor cells (CTCs) carry reliable clinical information for the diagnosis and treatment of cancer that is a malignant disease with a high m......

Profiling SARS-CoV-2 Main Protease (M-PRO) Binding to Repurposed Drugs Using Molecular Dynamics Simulations in Classical and Neural Network-Trained Force Fields

期刊: ACS COMBINATORIAL SCIENCE, 2020; 22 (12)

The current COVID-19 pandemic caused by a novel coronavirus SARS-CoV-2 urgently calls for a working therapeutic. Here, we report a computation-based w......

Palladium-Catalyzed Cascade Reactions of delta-Ketonitriles with Arylboronic Acids: Synthesis of Pyridines

期刊: ACS COMBINATORIAL SCIENCE, 2020; 22 (3)

This study presents the first example of the Pd-catalyzed cascade reactions of S-oxohexanenitrile with arylboronic acids, affording important synthon ......

Optimized Multimetal Sensitized Phosphor for Enhanced Red Up-Conversion Luminescence by Machine Learning

期刊: ACS COMBINATORIAL SCIENCE, 2020; 22 (5)

In this research, machine learning including the genetic algorithm (GA) and support vector machine (SVM) algorithm is used to solve the "low up-conver......

Ce(OTf)(3)-Catalyzed Multicomponent Reaction of Alkynyl Carboxylic Acids, tert-Butyl Isocyanide, and Azides for the Assembly of Triazole-Oxazole Derivatives

期刊: ACS COMBINATORIAL SCIENCE, 2020; 22 (5)

Cerium(III) triflate-catalyzed multicomponent reactions between alkynyl carboxylic acids, tert-butyl isocyanide, and organic azides have been develope......

Efficient Arylation of 2,7-Naphthyridin-1(2H)-one with Diaryliodonium Salts and Discovery of a New Selective MET/AXL Kinase Inhibitor

期刊: ACS COMBINATORIAL SCIENCE, 2020; 22 (9)

New 8-chloro-2-phenyl-2,7-naphthyridin-1(2H)-one building blocks bearing diverse substitutes on the 2-phenyl group were synthesized via an efficient d......

Exploration of Catalytic Nucleic Acids on Porphyrin Metalation and Peroxidase Activity by in Vitro Selection of Aptamers for N-Methyl Mesoporphyrin IX

期刊: ACS COMBINATORIAL SCIENCE, 2019; 21 (2)

To develop a novel light-up probe and DNAzyme, we selected aptamers for N-methyl mesoporphyrin IX (NMM), a common fluorogenic analogue of coenzyme hem......

JIF:3.2

Highly Regioselective, Acid-Catalyzed, Three-Component Cascade Reaction for the Synthesis of 2-aminopyridine-Decorated Imidazo[1,2-a]pyridine

期刊: ACS COMBINATORIAL SCIENCE, 2019; 21 (3)

A highly regioselective acid-catalyzed three component reaction of 2-aminopyridine and 3-phenylpropiolaldehyde for the construction of imidazo[1,2-a]p......

JIF:3.2

An Improved High-Throughput Data Processing Based on Combinatorial Materials Chip Approach for Rapid Construction of Fe-Cr-Ni Composition-Phase Map

期刊: ACS COMBINATORIAL SCIENCE, 2019; 21 (12)

The combinatorial materials chip approach is vastly superior to the conventional one that characterizes one sample at a time in the efficiency of comp......

JIF:3.2

Polymerase-Extension-Based Selection Method for DNA-Encoded Chemical Libraries against Nonimmobilized Protein Targets

期刊: ACS COMBINATORIAL SCIENCE, 2019; 21 (5)

DNA-encoded chemical libraries (DELs) have become an important ligand discovery technology in biomedical research and drug discovery. DELs can be comp......

JIF:3.2

Selenium-Catalyzed Carbonylative Synthesis of 3,4-Dihydroquinazolin-2(1H)-one Derivatives with TFBen as the CO Source

期刊: ACS COMBINATORIAL SCIENCE, 2019; 21 (8)

An efficient and general carbonylative procedure for the synthesis of 3,4-dihydroquinazolin-2(1H)-one from 1-(halomethyl)-2-nitrobenzenes and aryl/alk......

JIF:3.2

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