2006.02.02 : Fixed bug on calculation of hydrogen number

You are here:

Home
Change History
2006.02.02 : Fixed bug on calculation of hydrogen number

February 2, 2006Change HistoryBy Young-Mook Kang, PhD

2006.02.02 : Fixed bug on calculation of hydrogen number

Element : Al, Ga, In, Tl, Cl, Br, I

About the author

Young-Mook Kang, PhD

I have great experience with multiple computer languages, including C++, Java, Python, etc. since I began to study on Assembly, Basic and C languages in 1988. Additionally, I have a Master degree of computational chemistry, a Ph.D. degree in computational biology and over 16 years of experience working as a scientific software programmer in Bioinformatics and Cheminformatics.

2007.07.20 : fixed bug : MPEOE charge
July 20, 2007

2006.10.27 : modifed druglikeness calculation
October 27, 2006

2006.09.30 : Added several kinds of descriptors
September 30, 2006

2006.07.20 : Added Maximum partial charge of several elements
July 20, 2006

2006.07.13 : Fixed bug of reactive functiona groups
July 13, 2006

2006.07.10 : Fixed bug of Xu descriptors and added reactive functional groups
July 10, 2006

2006.02.02 : Fixed bug on calculation of hydrogen number

Share this:

Related