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Terms and Conditions of Use

SAMPL License
Signing this on-line form certifies agreement to and understanding of the following:

SAMPL is to be a one-day event held on March the 19th 2008 in Santa Fe, New Mexico as an attempt at a ‘blind’ assessment of methods and techniques in computational chemistry. All contributors will have an opportunity to present results and comment on the assessment.
Not all the data in SAMPL is truly blind as a limited subset may be found in the literature. In signing this agreement the Contributor acknowledges this fact and agrees not to seek out this information for the purpose of improving the accuracy of their submission. In addition, any prior knowledge on the systems under consideration must be disclosed as Ancillary Data.
The structural and chemical information (The Information) downloaded from the OpenEye website is only for the purpose of contributing to the SAMPL event. The Information may not be shared outside of the organization agreeing to this document. At the conclusion of the SAMPL event, The Information will be made freely available.
All predictions (Results) contributed to SAMPL must be accompanied by a complete description of the procedures employed as Ancillary Data, for instance version numbers of software, parameter selection etc. This description must be sufficient to allow for reproduction of the Results. If possible, attempts may be made to reproduce successful predictions using the Ancillary Data. Results that have been independently reproduced will be considered “Certified”.
Any Results and Ancillary Data submitted for inclusion in SAMPL are considered public after March 19th 2008, with the exception of the submitters name and affiliation. These may be withheld at the contributor’s request. Such a request must be made before March 12th 2008. Contributors who submit multiple attempts at a particular data set must chose anonymity for all attempts at that data set or none. The rationale here is two-fold. First, to remove any "File Draw" effect, i.e. the tendency to publish only positive results that skews statistical analysis. Second, to encourage groups that may feel they have too much to lose should their contributions prove inaccurate.
Results may not be altered after submission. Groups are allowed multiple submissions on a particular dataset, as long as each submission is clearly annotated and differentiated from other such submissions in the Ancillary Data.
The protein-ligand parts of SAMPL have been designed for progressive, blind prediction, i.e. virtual screening, followed by pose prediction, followed by affinity prediction. In order to maintain the blind aspect of SAMPL, any predictions on data already revealed to a group, i.e. unblinded, will not be included. However participants may skip phases, for example pass on virtual screening and pose prediction in order to focus on affinity predictions. Participants agree blind prediction is the purpose of SAMPL and not to attempt to circumvent this purpose.
The final date for submissions is February 19th, 2008, one month before the SAMPL event; contributors will only have access to affinity data after this deadline. Contributors may submit ancillary data after this date but not predictions.
After the SAMPL event a report will be prepared for publication describing the event and results. Both OpenEye and the groups contributing data will write this report. Contributors of predictions will have the opportunity to provide feedback and contributions but not editorial control. Contributors will have the right to publish separately on any predictions made.

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