ZINC15:What's New: Difference between revisions
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= New Resources = | = New Resources = | ||
You may now ask many questions that were not possible in ZINC12. The things you make ask about are called [[:Category:ZINC15:resources | resources]]. In ZINC12, there was really only one resource - substances. Thus Substances is a resource, the querying of which is most of what was available in ZINC12. | |||
= Faster = | = Faster = | ||
ZINC15 is faster than ZINC12 thanks to [[RDKit]] and [[PostgreSQL]]. The good side of this is that we can now offer complete database searches, resulting in better estimates of the true answers. | ZINC15 is faster than ZINC12 thanks to [[RDKit]] and [[PostgreSQL]]. The good side of this is that we can now offer complete database searches, resulting in better estimates of the true answers. On the other hand, this new software has raised our ambitions, and many new queries that are now possible that may take a long time to run. The goal is to have these long running queries automatically re-routed to batch mode, but we are not there yet. | ||
= New Questions = | = New Questions = | ||
See our examples page for examples of the new questions that may be asked. [[ZINC15:examples]]. | See our examples page for examples of the new questions that may be asked. [[ZINC15:examples]]. | ||
= | = Also: = | ||
* InChI and InChIkey support | * InChI and InChIkey support | ||
* More catalogs [http://zinc15.docking.org/catalogs] | * More catalogs [http://zinc15.docking.org/catalogs] | ||
* faster updates | * faster updates | ||
Revision as of 04:11, 1 October 2015
A lot.
New Resources
You may now ask many questions that were not possible in ZINC12. The things you make ask about are called resources. In ZINC12, there was really only one resource - substances. Thus Substances is a resource, the querying of which is most of what was available in ZINC12.
Faster
ZINC15 is faster than ZINC12 thanks to RDKit and PostgreSQL. The good side of this is that we can now offer complete database searches, resulting in better estimates of the true answers. On the other hand, this new software has raised our ambitions, and many new queries that are now possible that may take a long time to run. The goal is to have these long running queries automatically re-routed to batch mode, but we are not there yet.
New Questions
See our examples page for examples of the new questions that may be asked. ZINC15:examples.
Also:
- InChI and InChIkey support
- More catalogs [1]
- faster updates
Back to Category:ZINC15