PKPDAI / PKDocClassifierLinks
Binary classifier to identify scientific publications reporting pharmacokinetic parameters estimated in vivo
☆20Updated last year
Alternatives and similar repositories for PKDocClassifier
Users that are interested in PKDocClassifier are comparing it to the libraries listed below
Sorting:
- Pharmacokinetics database☆44Updated last month
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆18Updated 3 years ago
- Massively multitask stacked model for predicting activity of thousands of biological assays☆34Updated 4 years ago
- ☆23Updated 4 months ago
- ☆23Updated 4 years ago
- Code available for the quantitative pharmacophores☆12Updated 3 years ago
- ☆32Updated 7 months ago
- An implementation of the Solubility Forecast Index (SFI)☆23Updated 2 months ago
- Official repository for multitask deep learning models.☆20Updated 5 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 3 years ago
- Modeling framework for eTRANSAFE project☆13Updated 4 months ago
- Write reproducible code for getting and processing ChEMBL☆85Updated 2 months ago
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆22Updated 3 years ago
- A simple, graphical pharmacokinetic-pharmacodynamic modelling solution☆19Updated 5 years ago
- Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug…☆14Updated 2 years ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆35Updated 4 years ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆81Updated 5 months ago
- Resources for Learning Cheminformatics with the RDKit☆18Updated 6 years ago
- Benchmark interpretation of QSAR models☆15Updated 3 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆38Updated last year
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- ☆13Updated last year
- RDKit code for the JCIM article☆17Updated 12 years ago
- Python API for Pharmer☆12Updated 6 years ago
- Modeling Tanimoto distributions for RDKit☆18Updated 5 years ago
- ☆14Updated 2 years ago
- ☆17Updated 2 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆67Updated 2 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated this week