-
The following compounds have been sent off for potency evaluation, and results will be updated when we get them back.
MMV Number | SMILES | InChI | InChI Key
-- | -- | -- | --
MMV1803…
-
**What is the search string**
`caustic soda liquid;aquafina;distilled water;hydrogen oxide (h2o);ultrexii ultrapure;`
**Which chemical in the database do you believe should be found?**
its water,bu…
-
Current Scenario:
```ts
import refNAPI from "ref-napi";
import StructType from "ref-struct-di";
import ArrayType from "ref-array-di";
const NAPIStructType = StructType(refNAPI);
const NAPI…
-
Smiles to InChi to sdf conversion has thrown some double bonds into the wrong positions
-
I am not satisfied with the output of the metabolite matching algorithm. Currently it is a very wide table, but I want it in a longer format.
-
Hello
When I run the sample code, the following error occurs, how to solve it?
### ** Examples
#get molecule from smiles
smiles
-
Hi,
I have the following validator error (example)
```
20:53:36.262 ERROR massbank.cli.Validator - ACCESSION: MSBNK-BAFG-CSL23102516856
20:53:36.262 ERROR massbank.cli.Validator - ^
20:53:36.262 …
-
https://academic.oup.com/bioinformatics/advance-article-abstract/doi/10.1093/bioinformatics/btaa973/5988483
-
Results are at bottom of thread!
* Control compounds : **MMV897698** as the reference compound ([#572](https://github.com/OpenSourceMalaria/OSM_To_Do_List/issues/572)); MMV663915 resynthesis by S…
-
I submitted my data (.csv) with correct names for each columns (Method, Compound, rt, Pubchem, inchi) and when I clicked on "Process and add data", there is a bug, the soft stop to work. Can you help …