More specifically, the present invention relates to harvesting chemical data from hand drawn or digital images and rendering them into suitable forms to reuse said harvested information for simulation and model/remodeling of structure in the field of chemoinformatics.MUTHUKUMARASAMY KARTHIKEYAN...
chemical structure search is an extremely useful tool provided by many small-molecule databases as a free, on-line service. However, such services typically offer a simple, human-oriented user interface, which makes them unsuitable for automated use (e. g. by other services) or use in arbitrar...
Advanced Spectrum/Mixture Search Name and Property Search Basic Functional Group Analysis Advanced Functional Group Analysis Database Building/Management Structure Drawing/Custom Reports Spectrum Processing NMR Prediction Email Address* Country/Location* ...
Chemical Structure Representation Standardization and correction of chemical structures Chemicalize Calculate properties instantly, search chemical data, and draw molecules online Compound Registration Normalize, check, validate and register chemical compounds ...
CLiDE Pro: The Latest Generation of CLiDE, a Tool for Optical Chemical Structure Recognition 来自 ACS 喜欢 0 阅读量: 693 作者:AT Valko,AP Johnson 摘要: We present CLiDE Pro, the latest version of the output of the long-term CLiDE project for the development of tools for automatic ...
PubChem is an important public, Web-based information source for chemical and bioactivity information. In order to provide convenient structure search methods on compounds stored in this database, one mandatory component is a Web-based drawing tool for interactive sketching of chemical query structures...
02 January 2025|Open Access Identification and structure-guided development of triazole urea-based selective antagonists ofArabidopsiskarrikin signaling Here, the triazole urea compound KK181N1 is identified as a Karrikin signaling-specific antagonist with a non-covalent binding mode, contrasting the covalen...
chemical structure of a compound, similarity searching in a 1.5 million compound database spiked with compounds structurally analogous to the query structure lead to the retrieval of compounds structurally and pharmacologically highly analogous to the "hidden" query structure in all three examples ...
Posttranslational modifications alter the structure and function of proteins. Now, genetic code expansion enables encoding of ε-N-succinyllysine and ε-N-glutaryllysine residues to decipher the effects of these modifications on enzymatic activity, protein–protein interactions and protein–DNA interactions...
Karapetyan K, Batchelor C, Sharpe D, Tkachenko V, Williams AJ (2015) The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets. J Cheminform. 7:30 Article Google Scholar ChemSpider | Search and share chemistry. http://www.chemspi...