Details of upcoming SAMPL in-person and virtual workshops, including agendas as applicable.
Several SAMPL7 challenges will launch in the immediate future, including:
- Host-guest binding on octa acid derivatives (Gibb lab)
- Host-guest binding on modified cyclodextrin derivatives (Gilson lab)
- Host-guest binding on a glycouril clip-like host (Isaacs lab)
Preliminary details of these are being posted to the SAMPL7 GitHub repository.
We are also working with GSK on data collection for a partitioning challenge, and with NCATS on data collection for two potential protein-ligand binding challenges (on HSA and NanoLuc binding). Depending on data collection timescales these may comprise part of the SAMPL7 series, or may become part of SAMPL8. See our roadmap pages for more details.
Note that, in contrast to SAMPL0-5, the SAMPL numbering system now corresponds to phases rather than individual challenges. So, rather than corresponding to a single challenge with a single deadline, SAMPL7 will involve multiple component challenges with multiple deadlines.
Wrapping up SAMPL6
SAMPL6 Part II, which is currently in the analysis phase, focused on an octanol-water log P prediction challenge. The Log P prediction challenge will be followed by a joint D3R/SAMPL workshop in San Diego, Aug 22-23, 2019, immediately before the San Diego ACS National Meeting; a virtual workshop is planned for May 16, 2019 (contact David Mobley if you are interested in attending). A special issue of JCAMD is planned with a submission deadline of Sept. 15. Join our SAMPL6 e-mail list if you would like announcements pertaining to these events.