ChemDBsoft Academic - Chemical Software , Chemical Database

Category(s):	Home & Education > Science

Summary:	ChemDBsoft is chemical database software for management of databases of any size. Includes: free structure drawer, simple data views, searches by structure and substructure, multiple database searches, SDF import/export, duplicate removal, database comparison, chemical web server. Calculation and prediction: QSAR properties, LogP, LogC, solubility, diversity and similarity; HTS and combinatorial chemistry; MASS/NMR/IR spectra management.

Publisher:	A+ Scientific LLC

Platform(s):	Win95,Win98,WinME,WinXP,WinNT 4.x,Windows2000

Requirements:	Intel Pentium II 350MHz or above, or any Athlon.64 MB RAM or above.

Language:		File size:	3599 KB

Our Rating:		Cost:	$ 50.00

Application 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.

Related Keywords

Chemical Web Server , PH , Chemical Database , Chemistry Database , QSAR , Structure Editor , LogP , Solubility , LogD , Pka , Chemistry Software , LogC , Clustering , Similarity , Diversity , SAR , Chemical Software

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