matthiaskoenig / pkdbLinks
Pharmacokinetics database
☆40Updated last year
Alternatives and similar repositories for pkdb
Users that are interested in pkdb are comparing it to the libraries listed below
Sorting:
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated last year
- A database of paths that represent the mechanism of action from a drug to a disease in an indication.☆65Updated 4 months ago
- Modeling framework for eTRANSAFE project☆13Updated 2 months ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated last week
- A Python package for drug discovery by analyzing causal paths on multiscale networks☆28Updated last year
- Pipeline for assessing the tractability of potential targets (starting from Gene IDs)☆27Updated 8 months ago
- Binary classifier to identify scientific publications reporting pharmacokinetic parameters estimated in vivo☆19Updated last year
- comparing drug classification methods☆22Updated 5 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated 2 years ago
- Computational Analysis of Novel Drug Opportunities☆39Updated 2 weeks ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆43Updated last week
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆35Updated 2 years ago
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆15Updated 3 years ago
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆37Updated last year
- A high throughput automated drug discovery pipeline.☆29Updated 7 years ago
- Machine learning guided association of adverse drug reactions with in vitro off-target pharmacology☆34Updated 5 years ago
- ☆22Updated 2 years ago
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …☆52Updated 3 weeks ago
- deep learning based prediction of structures and functional groups from MS/MS spectra☆11Updated 8 months ago
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆67Updated last year
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆18Updated 3 years ago
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆71Updated last month
- Information sharing portal about nCov/SARS/MERS for drug discovery☆38Updated last year
- ☆17Updated last year
- ☆14Updated 2 years ago
- A pragmatic interface to RDKit in R☆25Updated 6 years ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆22Updated last year
- ☆32Updated 9 months ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago