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 2D structure drawer
- Ames test
- rodent carcinogenicity
- ACDLabs ChemSketch -> BMD DBdrawX ActiveX program
2006.02.02 : Fixed bug on calculation of hydrogen number
2006.02.02 : Fixed bug on calculation of hydrogen number
Element : Al, Ga, In, Tl, Cl, Br, I
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, cyano, oxime and ketene
2005.11.09: Automatically executed structure normallization
2005.11.09: Automatically executed structure normallization
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 skin permeability.
2004.08.05: improved ADME model of HIA, BBB, protein binding and skin permeability.
2004.08.05: improved ADME model of HIA, BBB, protein binding and skin permeability.
2004.04.20: Added MPEOE charge, autocorrelation and BCUT descriptors
955 descriptors can be calculated.