2006.07.13 : Fixed bug of reactive functiona groups
2006.07.13 : Fixed bug of reactive functiona groups ring correction [...]
2006.07.10 : Fixed bug of Xu descriptors and added reactive functional groups
2006.07.10 : Fixed bug of Xu descriptors and added reactive functional [...]
[2006/03] Added Toxicity Model to PreADMET
We added toxicity model to PreADME such as Ames test [...]
2006.03.08 : Added two kinds of toxicity models and changed 2D structure drawer
2006.03.08 : Added two kinds of toxicity models and changed [...]
2006.02.02 : Fixed bug on calculation of hydrogen number
2006.02.02 : Fixed bug on calculation of hydrogen number Element [...]
2006.01.05 : Fixed bug of autocorrelation geary descriptor
2006.01.05 : Fixed bug of autocorrelation geary descriptor
2006.01.04 : Fixed bug of misclassified functional group
2006.01.04 : Fixed bug of misclassified functional group amine, ether, [...]
2005.11.09: Automatically executed structure normallization
2005.11.09: Automatically executed structure normallization
2005.10.09: Fixed bug of WDI-like rule
2005.10.09: Fixed bug of WDI-like rule
2005.09.20: improved ADME model of HIA, BBB, protein binding and skin permeability.
2005.09.20: improved ADME model of HIA, BBB, protein binding and [...]