-
### Is your feature request related to a problem? Please describe.
Use the XGBoost algorithm to reduce the time of drug discovery. The data-set is present in python library chembl-webresource-client…
-
Hi @DhanshreeA , below are some thoughts about the output of the Ersilia Assistant. I hope they are useful... I will basically put a mock example and then we can think how to get there.
## Query
…
-
This issue contains monthly updates to the ranked list of PubMed papers for curation. The full list can be found [here](https://github.com/tanayshah2/bioregistry/blob/5560dcf284f2c0309287e0a5a551e435e…
-
Hello, thank you for your work.
I have interest in the AttentiveFP implementation from the paper "Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mech…
-
**Describe the bug**
[Brenk filter](https://github.com/rdkit/rdkit/blob/e4f4644a89d6446ddebda0bf396fa4335324c41c/Code/GraphMol/FilterCatalog/brenk.in) and [Dundee filter](https://github.com/rdkit/r…
-
Open drug discovery projects have several advantages, _and one of those needs to be the ease with which people can contribute physical samples for evaluation_: either molecules they have made for the …
-
https://doi.org/10.1021/acscentsci.6b00367 (preprint https://arxiv.org/abs/1611.03199)
> Recent advances in machine learning have made significant contributions to drug discovery. Deep neural netwo…
-
http://doi.org/10.1080/17460441.2016.1201262
> Introduction: Neural networks are becoming a very popular method for solving machine learning and artificial intelligence problems. The variety of neu…
-
Dear Chai Discovery Team,
First of all, I want to express my gratitude for making the Chai-1 codebase open-source and accessible to the community. Your work is truly invaluable and has great potent…
-
MSID: 102352
Version: 1
Preprint DOI: https://doi.org/10.1101/2024.08.12.607380
## Step 1. Awaiting reviews
**Editorial to post reviews via hypothesis**
**Useful links:**
- DocMap: https://data-h…