Software


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.

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/Vista/W7 Win32, Unix, Linux, Java,
Free Software
Chemical Database Management
Chemical Database Web Server Software
  • JChem Base
Structure Drawing and Viewing
Predict/Calculate Physico-Chemical Properties: LogP, Solubility, Pk, ADMET, Bioactivity, Charges, Concentrations...
Diversity Analysis, Clustering
  • JKlustor
Software for HTS and combinatorial chemistry
Structure Processing
Spectra Management  
Modeling  

 

Databases, Reference, Glossaries  

 

Chemical Database Management System

Program Package MOLPRO

  • 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