matthiaskoenig / pkdb
Pharmacokinetics database
☆32Updated 6 months ago
Alternatives and similar repositories for pkdb:
Users that are interested in pkdb are comparing it to the libraries listed below
- Binary classifier to identify scientific publications reporting pharmacokinetic parameters estimated in vivo☆18Updated 11 months ago
- An Online Tool for the Real-Time Kinetic Analysis of Binding Events☆13Updated 5 months ago
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆37Updated 4 months ago
- ☆20Updated last year
- Adverse Outcome Pathway Ontology☆11Updated 9 months ago
- A Python package for drug discovery by analyzing causal paths on multiscale networks☆26Updated 6 months ago
- Computational Analysis of Novel Drug Opportunities☆35Updated this week
- Modeling framework for eTRANSAFE project☆12Updated 9 months ago
- Write reproducible code for getting and processing ChEMBL☆71Updated 11 months ago
- comparing drug classification methods☆19Updated 4 years ago
- ☆21Updated 2 months ago
- Repository for storing code related to the paper by Zdrazil B., Richter L., Brown N., and Guha R. "Moving Targets: Monitoring Target Tren…☆9Updated 4 years ago
- A high throughput automated drug discovery pipeline.☆29Updated 6 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆14Updated 4 years ago
- Automated framework for the curation of chemogenomics data and to develop QSAR models for virtual screening using the open-source KNIME s…☆20Updated 4 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆29Updated last month
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆32Updated last year
- Derivation of structural alerts from bioactivity data sets☆29Updated 8 years ago
- ☆32Updated 3 years ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆16Updated 2 years ago
- A database of paths that represent the mechanism of action from a drug to a disease in an indication.☆57Updated last year
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆30Updated 6 months ago
- ☆16Updated 5 years ago
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆14Updated 2 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆34Updated last week
- A high-quality hand-curated logD7.4 dataset of 1,130 compounds☆18Updated 7 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆15Updated last year
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆25Updated 3 years ago
- Deep-learning models for Drug Discovery and Quantum Chemistry☆27Updated 7 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆16Updated 2 years ago