... | @@ -13,7 +13,18 @@ The central task of the CC is to produce signatures of different types, given co |
... | @@ -13,7 +13,18 @@ The central task of the CC is to produce signatures of different types, given co |
|
|
|
|
|
This is best explained with a diagram:
|
|
This is best explained with a diagram:
|
|
|
|
|
|
![cc_pipelines-resource-update.svg](/uploads/1468023d1c64fa016d0ed91077925ff4/cc_pipelines-resource-update.svg)
|
|
![cc_pipelines_general.svg](/uploads/37e5a5ce93ec5182eab138a8e5d187c5/cc_pipelines_general.svg)
|
|
|
|
|
|
|
|
* (a) Six month update
|
|
|
|
For every downloaded [data](data) and [chemical library](libraries), the pipeline standardizes the chemical structures. Then, it calculates molecular properties.
|
|
|
|
* (b) New data-driven dataset
|
|
|
|
XXX
|
|
|
|
* (c) New property dataset
|
|
|
|
XXX
|
|
|
|
* (d) Mapping of new molecule collections
|
|
|
|
XXX
|
|
|
|
* (e) Connectivity of external data
|
|
|
|
XXX
|
|
|
|
|
|
:warning: Unfortunately, we do not have a clear means to produce [signatures type 3](signaturization#signatures-type-3) yet. In consequence, their production is not appropriately reflected in the [pipeline](#pipeline).
|
|
:warning: Unfortunately, we do not have a clear means to produce [signatures type 3](signaturization#signatures-type-3) yet. In consequence, their production is not appropriately reflected in the [pipeline](#pipeline).
|
|
|
|
|
... | | ... | |