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Submissions, Resources, and Data
If you would like to submit physical samples of compounds to be tested, please fill out the compound donation spreadsheet and upload it through the submission Google form. Donations of physical samples to OSA are subject to the license terms outlined below.
If you would like to submit proposed compounds for synthesis, please fill out the proposed compound Google form.
TERMS OF MOLECULE DONATIONS TO OPEN SOURCE ANTIBIOTICS
- Acceptable use and future use.
Molecules submitted to Open Source Antibiotics (OSA) by contributors will be used (by OSA, or any 3rd party to which they are forwarded) only for the purposes of research associated with OSA, which operates in accordance with the Six Laws.
- Ongoing relationship between contributor and OSA.
All contributions will be publicly acknowledged, and the connection between the contributor and the research outcomes will be maintained, for example through eventual paper co-authorship. Involvement by the contributor with OSA following molecule contribution is purely voluntary.
- Molecule data.
A molecule is received as-is. Any known hazards associated with the molecules should be declared by the contributor (e.g. through the provision of an MSDS), but otherwise all compounds will be handled on the assumption that they are toxic. To aid the use of the samples it is hoped that NMR spectroscopic and/or LCMS data can be provided as evidence of identity and purity.
- Low level of obligation on the contributor.
Contributors: i) will not be held responsible for consequences of the use of the molecules after receipt by OSA. ii) are not obligated to disclose any subsequent research outcomes associated with the contributed compounds, although further disclosure is encouraged if that would help OSA. iii) are not required to provide further compound once the sample is exhausted. iv) are not required to disclose information about the compound other than any data relevant to safety. Additional data (e.g. ADME) would, however, be of great value. v) are free to pursue IP protection of the compounds or derivatives after donation, though contributors should be aware that all OSA data are placed in the public domain (see the Six Laws in point 1), and vi) are free to recommend that people should stop working on a compound should it prove to be possess notable newly-discovered properties.
- Obligations on OSA.
OSA is not responsible for the consequences of new "bad" data derived after submission, and is free to disseminate or address any apparent liability discovered and disclosed by the contributor or anyone else.
- IP at the time of contribution.
To the best of the contributor's knowledge there are no intellectual property limitations on the research that OSA can perform on the contributed samples.
"Open Source Antibiotics" is not a legal entity and should be taken to mean those people repeatedly contributing to OSA online in accordance with the Six Laws, and the associated research activity in the public domain.
(Terms were discussed in Issues 45 and 44 and in this blog post.)
Sites of metabolism
Physicochemical properties
There are more details on the Computational Chemistry Tools Page.
Synthetic procedures and characterisation data inherited from Álvaro Lorente Macías
Google Doc for characterisation of all OSA series 2 compounds
Spreadsheet of all OSA compounds
All OSA series 2 compounds should be assigned an OSA ID and added to the master sheet. Once evaluated, biological data for series 2 compounds should be summarised in a separate tab. Link to the relevant discussion here.
The Google sheet is not indexed by Google, ironically. Meaning that searching for molecules in the Master List is likely not to bring up results from the List. To fix this, Chris Swain set up an automatic export of the list to a static page that is indexed. Described here and exists here.
Salt and batch codes: Compounds with the same parent SMILES have the same OSA number (i.e., OSA_000001). Salt codes are below; more may be added as needed. Batch codes are assigned sequentially to identical compounds. (So for example, if compound OSA_000001 was synthesized three times, once as an HCl salt and twice as the free base, the batch codes would be: OSA_000001_XX_01; OSA_000001_XX_02; and OSA_000001_CL_01).
XX = No salt; free acid or base
CL = HCl salt
FA = Formic acid salt
TF = TFA salt