chem
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
|
Cheminformatics updates
This is the root topic for discussing cheminformatics, including the features of our Chem package. The Chem package provides first-class cheminformatics support for the Datagrok platform. See it in action on YouTube. Gi… |
|
31 | 4834 | April 15, 2024 |
| Configuring ChemDraw Sketcher |
|
1 | 117 | July 1, 2024 |
| Matched Molecular Pairs |
|
2 | 153 | June 20, 2024 |
| R-group analysis |
|
3 | 221 | January 30, 2024 |
| Enamine Lookup |
|
3 | 286 | June 21, 2023 |
| Chem|Descriptors errors out |
|
5 | 420 | June 17, 2023 |
| Structure Cleanup |
|
2 | 282 | March 14, 2023 |
| Chemical Space fails on Extended SMILES |
|
5 | 375 | March 14, 2023 |
| Scaffold Tree Error |
|
1 | 404 | March 11, 2023 |
| Total charge of compounds |
|
4 | 327 | March 9, 2023 |
| Chem - Descriptors fail on sparse dataset |
|
1 | 253 | March 1, 2023 |
| Where is cLogP? |
|
8 | 631 | December 16, 2022 |
| Butina Clustering Times Out |
|
1 | 314 | November 24, 2022 |
| Curate Chem structures |
|
1 | 433 | February 16, 2022 |
|
RDKit WebAssembly
|
|
3 | 1746 | January 20, 2021 |
| Horizontal scrolling omits cell borders |
|
10 | 678 | December 8, 2020 |
| Automatic detection of columns with molecules |
|
0 | 423 | December 1, 2020 |