自动获取物质理化性质 Auto-Property Extraction Tool [pKa/Koc/LogP/LogD/LogKow/BCF]
Shared by shearpholof
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- a year ago
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Make sure you check the content of the workflow before executing it. And If you found something suspicious, report it.
If the workflow trigger is interval, on a specific date, keyboard shortcut, etc. To make it work, you need to open the workflow first and then click the save button.
这个工作流将依据你输入的物质CAS号或英文名称，基于chembook、chemspider、pubchem三个网站的信息，提取相应的pka、Koc、LogP、LogD、LogKow、BCF数据。
Workflow Table
| Name | Type |
| pubchem-name | string |
| pubchem-Logp | string |
| pubchem-LogKow | string |
| chembook-name | string |
| chembook-logp | string |
| chembook-pka | string |
| chemspider-name | string |
| chemspider-text | string |
| chemspider-logp | any |
| chemspider-logD | any |
| chemspider-KOC | any |
| chemspider-BCF | any |
| pubchem-text | string |
| pubchem-KOC | string |
| chembook-text | string |