Merge pull request #35 from ECRL/dev

Removal of conversions, slight Server rework
ecrl · Jun 11, 2019 · 1e317c2 · 1e317c2
2 parents 2083718 + f017562
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diff --git a/databases/README.md b/databases/README.md
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 # ECNet Databases
 
 ### Here are brief descriptions of the databases:
-  - **cn_model_vX.0_full.csv**: cetane number database containing 482 molecules from 11 compound groups, each with an experimental cetane number and over 1600 QSPR descriptors generated using [E-Dragon](http://www.vcclab.org/lab/edragon/)
-  - **cn_model_vX.0.csv**: cetane number database containing 482 molecules from 11 compound groups, each with an experimental cetane number and 15 QSPR descriptors chosen via the [limit_parameters](https://github.com/tjkessler/ECNet/blob/master/examples/limit_input_parameters.py) Server method
-  - **cp_model_v1.0_full.csv**: cloud point database containing 43 molecules, each with an experimental cloud point value and over 1800 QSPR descriptors generated using [PaDEL-Descriptor](http://www.yapcwsoft.com/dd/padeldescriptor/)
-  - **cp_model_v1.0.csv**: cloud point database containing 43 molecules, each with an experimental cloud point value and 15 QSPR descriptors chosen via the [limit_parameters](https://github.com/tjkessler/ECNet/blob/master/examples/limit_input_parameters.py) Server method
-  - **pp_model_v1.0_full.csv**: pour point database containing 41 molecules, each with an experimental pour point value and over 1800 QSPR descriptors generated using [PaDEL-Descriptor](http://www.yapcwsoft.com/dd/padeldescriptor/)
-  - **pp_model_v1.0.csv**: pour point database containing 41 molecules, each with an experimental pour point value and 15 QSPR descriptors chosen via the [limit_parameters](https://github.com/tjkessler/ECNet/blob/master/examples/limit_input_parameters.py) Server method
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+  - **cn_database_v1.0.csv**: cetane number database containing 482 molecules from 11 compound groups, each with an experimental cetane number and 5305 QSPR descriptors calculated using alvaDesc
+  - **cp_database_v1.0.csv**: cloud point database containing 43 molecules, each with an experimental cloud point value and 5305 QSPR descriptors calculated using alvaDesc
+  - **kv_database_v1.0.csv**: kinematic viscosity database containing 216 molecules, each with an experimental kinematic viscosity value and 5305 QSPR descriptors calculated using alvaDesc
+  - **mon_database_v1.0.csv**: motor octane number database containing 308 molecules, each with an experimental MON value and 5305 QSPR descriptors calculated using alvaDesc
+  - **pp_database_v1.0.csv**: pour point database containing 41 molecules, each with an experimental pour point value and 5305 QSPR descriptors calculated using alvaDesc
+  - **ron_database_v1.0.csv**: research octane number database containing 308 molecules, each with an experimental RON value and 5305 QSPR descriptors calculated using alvaDesc
+  - **s_database_v1.0.csv**: octane sensitivity database containing 308 molecules, each with an experimental octane sensitivity value and 5305 QSPR descriptors calculated using alvaDesc
+  - **ysi_database_v1.0.csv**: unified yield sooting index database containing 421 molecules, each with an experimental unified yield sooting index value and 5305 QSPR descriptors calculated using alvaDesc
   - **db_template.csv**: ECNet-formatted database template
diff --git a/databases/cn_database_v1.0.csv b/databases/cn_database_v1.0.csv
diff --git a/databases/cn_model_v1.0.csv b/databases/cn_model_v1.0.csv
diff --git a/databases/cn_model_v1.0_full.csv b/databases/cn_model_v1.0_full.csv
diff --git a/databases/cn_model_v2.0.csv b/databases/cn_model_v2.0.csv
diff --git a/databases/cn_model_v2.0_full.csv b/databases/cn_model_v2.0_full.csv
diff --git a/databases/cp_database_v1.0.csv b/databases/cp_database_v1.0.csv
diff --git a/databases/cp_model_v1.0.csv b/databases/cp_model_v1.0.csv