Post has attachment
#Zeolite #Molecular Sieve #Market detergent applications were valued at over USD 1.5 billion in 2015. Globally, liquid detergent demand was valued more than 5 million tons in 2015 and will surpass 7 million tons by 2023, growing at moderate CAGR of 3%.

Post has attachment

Post has attachment
CDK 1.5.14 is released. The last development version in the 1.5.x series. Next up is 2.0! (aka. git master is 2.0-SNAPSHOT!)

Post has attachment
This is one of the most cited papers citing one of the CDK papers. And it uses the CDK (and JChemPaint) for 2D depicting and more.

Post has attachment
This paper describes an Alzheimer related QSAR model. It primarily uses fingerprints and the PaDeL-Descriptor software for it particularly. I just checked the PaDeL website (http://www.yapcwsoft.com/dd/padeldescriptor/) and it still seems to use CDK 1.4. The page has the note "Hence, there are some compatibility issues which will only be resolved when PaDEL-Descriptor updates to CDK 1.5.x, which will only happen when CDK 1.5.x becomes the new stable release." and I hope Yap Chun Wei will soon find time to make this update.

That brings me to a second thing. The authors compare various fingerprints and the predictive powers of models based on them. I am really looking forward to a paper where the authors compare the same fingerprint (or set of descriptors) but with different CDK versions, particularly CDK 1.4 against 1.5. My guess is that the models based on 1.5 will be better, but I am not entirely convinced yet that the increased stability of 1.5 is actually going to make a significant impact on the QSAR performace... what do you think?

Post has shared content
"We used the molecular signatures implementation in the open source cheminformatics library Chemistry Development Kit (CDK) [22, 23] version 1.5.7."

Post has attachment

Post has attachment

Post has attachment

suggest some new and unique topic for research???
Wait while more posts are being loaded