ZINC15:examples: Difference between revisions
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See [[ZINC15:Levels]] for a description of our classification of questions by how easy it is to answer them. | See [[ZINC15:Levels]] for a description of our classification of questions by how easy it is to answer them. | ||
== Public access == | == Public access == | ||
[[ZINC15:examples:level1]] - questions that are easy to answer using the [zinc15.docking.org zinc15.docking.org] web page. | * [[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: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: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. | ||
== Private access required == | == Private access required == | ||
[[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: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. | ||
Revision as of 16:09, 16 April 2015
Examples from the 2015 paper
Abstract and Introduction
ZINC15:examples:abstract ZINC15:examples:introduction
Results
ZINC15:examples:results-tables
ZINC15:examples:results-figures
ZINC15 Actions
Examples organized by level of difficulty
See ZINC15:Levels for a description of our classification of questions by how easy it is to answer them.
Public access
- 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.
Private access required
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.
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
Website Usage
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