>> Sorry, they can be validated to some extend using biochemical data! >You are joking, right?
Perhaps a distinction has to be made between model validation and making useful predictions from the model. Something like Model Validation - testing model against data. In case of protein crystallography the diffraction data plus other (e.g. stereochemical) data. Can use cross validation where some of the data is put aside as a validation set. Using model for making predictions (e.g. predicting results of biochemical experiments). If a model consistently makes correct and interesting predictions then it is useful. Eventually such success could be regarded as validation (until the next prediction fails!). I would not regard the two as completely separate but, for protein crystallography, it seems to be useful to make this sort of distinction. Colin -----Original Message----- From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of Morten Kjeldgaard Sent: 17 November 2009 09:56 To: [email protected] Subject: Re: [ccp4bb] video that explains, very simply, what Structural Molecular Biology is about On 17/11/2009, at 08.10, mesters wrote: >> Yes, but models that can be validated against experimental data. >> The defining characteristics of computational models is that they >> (A) are 100% dependent on the algortihm, (B) can't be validated at >> all. >> >> Cheers, >> Morten > Sorry, they can be validated to some extend using biochemical data! You are joking, right? -- Morten -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom
