ChemDBsoft is chemical Banque de données software for management of chemistry databases of any Taille.

Data management features include: free structure drawer, 70+ template structures, fast and easy Banque de données creation, simple data views and browsing, easy Banque de données updates, import and export into various formats such as SDF and MOL, searches by structure and substructure, multiple Banque de données searches, multi-condition searches, duplicate removal, Banque de données comparison by any data field, barcode reader module, chemical web server for exposure of chemistry databases on the Internet.

Import/Export formats supported: SDF, MOL, JC, JCAMP, TXT, LST, and NIST MS

Calculation and prediction Outils include: prediction of lipophilicity, solubility and the corresponding pH-dependent profiles and drug absorption (QSAR properties LogP, LogC, LogSw/Solubility and FA/absorption); diversity and similarity analysis; high-throughput screening and combinatorial chemistry module; MASS/NMR/IR spectra management;

Glossary of Chemicals: searchable Banque de données of more than 20,000 chemicals with names and structures. It can work with either Light or Standard versions of ChemDBsoft.

Routines for Synthesis Planning: material balance, composition, charge estimation, concentrations, dilution of solvents.