Transition State Library Apr-04 (2.8 Mb)
This ZIP file includes a collection of transition state files of common reactions with complete reaction
pathway files that anim ate in CAChe including: Diels Alder, SN2, Amide hydrolysis, Keto-enol,
Syn elimination, Urethane (with and without catalyst), etc. PDB format files are also included.
Lipinski's "Rule of 5" ProjectLeader
Template (Download "Ruleof5.zip" 80KB)
This zipped file includes a ProjectLeader template set up to emulate Lipinski's Rule-of-5 to
estimate solubility and permeability of drug molecules. These files work only with CAChe 5.01 or BioMedCAChe
5.01 or later.
Water solubility estimation ProjectLeader template (Download "LogW.zip" 2.3 MB)
This zipped file includes a ProjectLeader template set up to estimate water solubility. The calibration spreadsheet
and the 156 calibration molecules are also included. These files can be opened only with CAChe.