LigandScout from inte:ligand is a software tool that allows to rapidly and transparently derive 3D pharmacophores from structural data of macromolecule/ligand complexes in a fully automated and
Category: Science Apps
Finding scientific applications has always been a little hit and miss since there is no “science” category on the iTunes store. To help out I’ve created a database listing applications that I knew about
High-throughput screening (HTS) remains a cornerstone of drug discovery, but searching through the many thousands of potential hits remains a daunting process. One aspect of
ChemAxon are a software company that produce a variety of cheminformatics applications and software development modules. A key driver for development has been maintaining portability among
Now that I have my new MacPro I thought it might be interesting to try out a couple of the software packages that I’ve previously
ForgeV10 is the latest offering from Cresset, whilst a new product those familiar with FieldAlign and FieldTemplater will recognise much of the functionality. ForgeV10 allows the
I previously reviewed FieldView a molecular viewer/editor from Cresset that is designed to show molecules with their associated Field patterns and physicochemical properties. Whilst this is an excellent visualisation
FieldView is a molecular viewer/editor from Cresset that is designed to show molecules with their associated Field patterns and physicochemical properties. Many molecular visualization/modelling tools seem to assume
ChemAxon are a software company that produce a variety of cheminformatics applications and software development modules. A key driver for development has been maintaining portability among
SeeSAR is a new product from BioSolve-it, it is intended as an interactive tool for designing/improving ligands for drug discovery. The download and installation is painless
infiniSee from BioSoveIT enables similarity searching, based on a query molecule, through billions of compounds in chemical spaces. Currently two chemical spaces from commercial compound vendors