PKPDAI / PKDocClassifierLinks
Binary classifier to identify scientific publications reporting pharmacokinetic parameters estimated in vivo
☆21Updated 2 years ago
Alternatives and similar repositories for PKDocClassifier
Users that are interested in PKDocClassifier are comparing it to the libraries listed below
Sorting:
- Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug…☆14Updated 2 years ago
- Pharmacokinetics database☆44Updated 3 months ago
- Derivation of structural alerts from bioactivity data sets☆31Updated 9 years ago
- ☆24Updated 6 months ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆17Updated 3 years ago
- Code available for the quantitative pharmacophores☆12Updated 3 years ago
- Massively multitask stacked model for predicting activity of thousands of biological assays☆34Updated 4 years ago
- Write reproducible code for getting and processing ChEMBL☆86Updated 4 months ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 3 weeks ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- ☆23Updated 4 years ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆35Updated 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.…☆18Updated 3 years ago
- ☆14Updated 2 years ago
- Resources for Learning Cheminformatics with the RDKit☆18Updated 6 years ago
- IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.☆15Updated 3 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated last month
- An implementation of the Solubility Forecast Index (SFI)☆23Updated 4 months ago
- Modeling framework for eTRANSAFE project☆13Updated 6 months ago
- ☆17Updated 2 years ago
- ☆32Updated 9 months ago
- cime public repository☆32Updated 3 years ago
- Benchmark interpretation of QSAR models☆14Updated 3 years ago
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆22Updated 2 years ago
- Shape-based alignment of molecules using 3D point-based representation☆23Updated last year
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Updated 3 years 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
- Official repository for multitask deep learning models.☆20Updated 5 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 11 years ago
- ☆17Updated 3 years ago