substructure downloads

ChemDBsoft Academic

Lite download

... as SDF and MOL, searches by structure and substructure, multiple database searches, multi-condition searches, duplicate removal, database comparison by any data field, barcode reader module, chemical web server for exposure ...

Espresso ELN

10.6.3 download

... a strong protocol editor, detection of synthetic context, substructure searches and optional data sharing and backup via ... stoichiometric calculations, integrated flexible materials database. · Reaction substructure searches (graphical & SMARTS text). · IP-protection via ...

Marvin Suite

24.3.2 download

... other cheminformatics platforms and databases. Users can perform substructure and similarity searches, calculate molecular descriptors, and predict physicochemical properties, such as solubility and pKa, with high accuracy. Marvin Suite's ...

JChem Suite

24.3.2 download

... related data. The suite's advanced search capabilities, including substructure, similarity, and exact structure searches, ensure that users can quickly find the information they need, even within large datasets. One ...