ZINC15:examples

Examples organized by level of difficulty

ZINC15:examples:level1 - questions that are easy to answer using the [zinc15.docking.org zinc15.docking.org] web page. ZINC15:examples:level2 - questions that require you compose your own query in the URL. This is usually because we have not yet gotten around to writing a graphical interface for this class of questions. ZINC15:examples:level3 - these are questions that are difficult or not possible to answer using the ZINC 15 website as it currently exists, but can be answered using a bit of python. We show you how. Using a bit of python can dramatically extend the power of the ZINC website. ZINC15:examples:level4 - these (and all higher levels) require privileged access to ZINC which is not available to the general public. However, by showing you what these questions are, and how you can solve them with access, we alert you to the possibilities of ZINC. Ask us if you require this level of access to ZINC. ZINC15:examples:level5 - higher level access. not just privileged ipynb, but also command line ZINC shell. ZINC15:examples:level6 - SQL ZINC15:examples:level7 - SQL and python ZINC15:examples:level8 - questions we've been asked that we are unable to answer as this time.

orphan

zinc15.docking.org/substances.txt:smiles,zinc_id,tanimoto_similarity? 
catalog.purchasable%20gt%209&ecfp4.data%20similarto%20CC(=O)Oc1ccccc1C(=O)O%20within%20.5?count=all

Other examples of ZINC15 not in the 2015 paper

"One-liners"

These are questions that can be solved in one line, in the URL of a browser, or using wget/curl in an unprivileged shell.

"Two-liners"

These are questions that can be solved in unix in one (or two lines) usually using wget/curl, but can't be solved (exactly) in a URL.

iPython Notesbooks

These are questions with answers that take a few lines, either in unix or ipynb. We present both, when possible.

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