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Software Selection Guide
For pricing and ordering information click here.
Software
Categories
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ChemDBsoft software
ChemDBsoft software is a collection of
state-of-the-art chemistry applications made by scientists, and
often quoted as very user-friendly, fast, productive, affordable and
functional.
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ChemAxon
Software
ChemAxon is a leader in providing
Java based chemical software development platforms for the
biotechnology and pharmaceutical industries. |
| Platform, OS requirements |
Windows 95,98,2000, XP
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Win32, Unix, Linux, Java, |
| Free Software |
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Click here for a list
of free products from ChemAxon |
| Chemical Database Management |
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- JChem Base
- JChem Cartridge
More Info |
| Chemical Database Web Server
Software |
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| Structure Drawing and Viewing |
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More Info |
| Predict/Calculate Physico-Chemical Properties:
LogP, Solubility, Pk, ADMET, Bioactivity, Charges, Concentrations... |
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More Info |
| Diversity Analysis, Clustering |
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More Info |
| Software for HTS and
combinatorial chemistry |
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More Info |
| Structure Processing |
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More Info |
| Spectra Management |
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| Modeling |
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More Info |
| Databases, Reference, Glossaries |
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Chemical Database Management System
Program Package MOLPRO-2001
- DISCON
pK Prediction
- HYBOT-PLUS
Hydrogen bond thermodynamics. Calculation of local and molecular
physicochemical descriptors
- MOLDIVS
Molecular diversity and similarity estimation
- SLIPPER
Solubility, Lipophilicity & Permeability. Prediction of
lipophilicity, solubility and the corresponding pH-dependent profiles
and drug absorbtion. LogP, LogD, LogSw, FA
Databases and References
- Glossary of Chemicals - searchable database of more than
20,000 chemicals with names and structures
- ASTD
Reference on thermodynamic, thermochemical and thermophysical properties
of individual substances
- FLAME
Database on combustion of explosives and propellants
- HAZARD
Sensitivity and properties of energetic materials database
Other Software
- PASS - Prediction of Activity Spectra for Substances
Pass predicts more than 700 pharmacological effects, mechanisms of
action, carcinogenicity, mutagenicity, teratogenicity and
embryotoxicity on the basis of structural formula of the compound.
- REAL
Computer modeling of complex chemical equilibrium at high pressure
and temperature
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| CHED
- Store up-to
10,000,000 chemical records Windows
95/98/NT/2000 compatible; compare
databases; multiple
database searching, sorting, comparison, merging;
common data formats SDF, MOL, JCAMP and other; Includes
Structure Editor; Diversity
analysis; NMR, MS
and IR spectra processing; synthesis
planning; SDF file
analyzer, editor and viewer; chemical Web Server
SLIPPER -
Solubility, Lipophilicity & Permeability; LogP, LogD,
LogSw, FA |
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ChemDBsoft