It was shown that the NMR chemical shift provides information on the chemical structure of polymers and can be used effectively in the chemical structure analysis and in the analysis of organic ...

Department of Technology and Biotechnology of Drugs, Faculty of Pharmacy, Jagiellonian University Medical College, Medyczna 9, Kraków 30-688, Poland Maj Institute of Pharmacology, Polish Academy of ...

However, in the field of cheminformatics where it is required to recognize 2D molecular structures as they are published in research journals or patent documents, OCR is not adequate for processing, ...

In this study, a novel salt of daidzein (DAI) and piperazine (PIP) was prepared and comprehensively characterized in terms of its structure and physicochemical properties. Additionally, the ...

Benzene's structure can be clearly understood through its molecular arrangement. A benzene molecule is composed of six carbon atoms arranged in a hexagonal ring, with each carbon atom bonded to ...

By simply writing the SMILES string inside a code block tagged with 'smiles', the plugin will render a visual representation of the chemical structure in the live preview mode. Install the plugin in ...

The development of plant immune activators has been an important direction in the innovation of new pesticides. Therefore, we designed and synthesized a series of trifluoromethyl pyridine piperazine ...

Abstract: Chemical structure recognition (CSR), transforming chemical structure images into formulas in character strings (such as SMILES), is a challenging problem due to the complex 2D structures ...

MassSpecBlocks is open source, web application to manage own user databases of chemical structures like NRPs and to find structures on other chemical projects.

DFT/B3LYP-6.31G* was used to assist with understanding the chemical structure degradation. Gemifloxacin underwent degradation in alkaline ... but with high sites of this property in the carboxylic ...