I want to ask the same question that Kristina and RG asked almost a year ago (see below). Is there a reason why ALOGP is not assigned to the QSAR module in CDK 1.0.2 (something to do with a lack of SMARTS functionality perhaps)?
Regards, Noel Rajarshi Guha Mon, 07 May 2007 07:02:52 -0700 On May 7, 2007, at 9:24 AM, Kristina Grabowski wrote: > Hi all, > I saw from the API that there is a ALOGP descriptor which also > calculates molar refractivity. I tried to use it, but it does not seem > to be in the cdk-1.0.jar, although it is in the source. It appears that the Alogp descriptor is assigned to the 'nocompile' module, which is probably why it does not get included in the final jar. Is there a reason why it is not assigned to the qsar module? ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- A mouse is an elephant built by the Japanese. ------------------------------------------------------------------------- This SF.net email is sponsored by the 2008 JavaOne(SM) Conference Don't miss this year's exciting event. There's still time to save $100. Use priority code J8TL2D2. http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
