From simon at moldiscovery.com Thu Jan 5 10:15:27 2012 From: simon at moldiscovery.com (Simon Cross) Date: Thu, 05 Jan 2012 09:15:27 +0000 Subject: [Users-list] Test test prediction in pentacle In-Reply-To: References: Message-ID: <4F056A2F.1020102@moldiscovery.com> Hi Manoharan, it is described (briefly) in section 3.6.1 and 3.3.1 of the manual. once you have a model you can save it for prediction 'models->save model for prediction'. Then when you open a new session and go to import molecules, you can select the model in the model library section, and Pentacle will work in prediction mode. Cheers, Simon On 27/12/2011 12:29, Prabu Manoharan wrote: > Hi, > > I want to predict the activity of an external dataset compounds. can > anybody say me how to get prediction for the external dataset in > pentacle software. I found nothing in the manual. > > Thanks in advance > -- > M. Prabu > > > > _______________________________________________ > users-list mailing list > users-list at moldiscovery.com > http://moat.moldiscovery.com/mailman/listinfo/users-list -- Simon Cross Snr Scientist& Product Manager Molecular Discovery Ltd Tel 07980 572278 www.moldiscovery.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://moat.moldiscovery.com/pipermail/users-list/attachments/20120105/b13dfae9/attachment.html