Downloads - (CGI) Web interfaces

Downloads

Fragmentor

A software to generate ISIDA/SMF fragments. Compiled for Linux 32 bits.

Fragmentor

A software to generate ISIDA/SMF fragments. Compiled for Windows 32 bits. This is command line software.

EdChemS

Chemical database tools.

EdiSDF

Visualisation, management and edition of SDF molecular files

ISIDA/QSPR

A complete set of multi-linear regeression tools including variable selections, data transformations, validations, visalisations and more...

SQS

A genetic algorithm based multi-linear regression builder - see doc html or pdf.

Web interfaces (CGI)

SXD

A database for metal extraction

Predictor

Apply published QSAR models to query compounds

Virtual screening

Similarity based virtual screening