ChemDBsoft Academic

Category: Education    

Date Listed/Updated: 2023-03-24 20:36:48

File size: 3599 KB

OS: Win95,Win98,WinME,WinXP,WinNT 4.x,Windows2000  License: Other  Price($): 50

Author/Publisher name: Tim Moore

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Description:

ChemDBsoft is chemical database software for management of chemistry databases of any size. Data management features include: free structure drawer, 70+ template structures, fast and easy database creation, simple data views and browsing, easy database updates, import and export into various formats such 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 of chemistry databases on the Internet. Import Export formats supported: SDF, MOL, JC, JCAMP, TXT, LST, and NIST MS Calculation and prediction tools 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 database 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.

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Tags: chemistry software  chemical software  chemical database  chemistry database  chemical web server  struct 

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