Chemo-Informatics: Contradictions DB: Critical Volume
Critical Volume [cm3/mol]
Maybe the source of Database-A and Database-C is same. Almost all data is same. But Database-A and Database-C, they put estimated value without notification for the compounds that do not have value. For Critical Volume case I want to expect the error within 3 cm3/mol, so I put several compounds that does not meet the error range.
Structure |
DB-A |
DB-B |
DB-C |
DB-D |
DB-E |
DB-F |
DB-G |
|
170 |
178 |
170.0 |
190 |
190.37 |
190.37 |
|
|
191 |
186 |
191.0 |
||||
|
225 |
196 |
225.0 |
||||
|
264 |
206 |
264.0 |
206 |
|||
|
210 |
223 |
210 |
204 |
|||
|
230 |
222 |
230.0 |
235 |
222 |
222 |
231.5 |
|
267 |
267 |
249 |
262 |
|||
|
213 |
213 |
213 |
213.2 |
244.7 |
||
|
217 |
241 |
217 |
241 |
|||
|
242 |
242 |
263 |
||||
|
264 |
255 |
264.0 |
||||
|
260 |
233 |
260 |
232.7 |
232.7 |
||
|
259 |
265 |
259 |
||||
|
230 |
230.0 |
200 |
220.0 |
|||
|
278 |
285 |
278.0 |
285.6 |
285.6 |
||
|
263 |
278 |
263.0 |
258 |
|||
|
263 |
274 |
263 |
||||
|
283 |
292 |
283.0 |
291.7 |
290 |
291.7 |
291.7 |
|
249 |
249 |
248.7 |
238 |
248.7 |
248.8 |
|
|
276 |
253 |
276 |
253 |
