SABS-R3-projects / PKPD
A simple, graphical pharmacokinetic-pharmacodynamic modelling solution
☆18Updated 4 years ago
Related projects ⓘ
Alternatives and complementary repositories for PKPD
- PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling☆106Updated last week
- Open Systems Pharmacology Suite Setup☆110Updated last month
- Pharmacokinetics database☆32Updated 4 months ago
- Binary classifier to identify scientific publications reporting pharmacokinetic parameters estimated in vivo☆18Updated 10 months ago
- Pharmacokinetic and Pharmacodynamic datasets for use in pharmacometrics and translational medicine☆19Updated 7 years ago
- ☆21Updated 3 weeks ago
- ☆12Updated last year
- ☆9Updated 5 years ago
- Official Implementation of CompassDock☆14Updated last month
- Supporting Information of Publications☆14Updated 5 years ago
- Machine Learning Projects☆23Updated 4 years ago
- An implementation of the Solubility Forecast Index (SFI)☆19Updated 2 years ago
- Code available for the quantitative pharmacophores☆10Updated 2 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 10 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆18Updated 2 years ago
- PyMOL Plugin for displaying polar contacts☆16Updated 5 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 2 years ago
- Tutoriales de Quimioinformática aplicada al diseño de fármacos☆13Updated last week
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Updated last year
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆13Updated 4 years ago
- rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)☆28Updated last year
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Updated 7 years ago
- ☆45Updated last year
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Updated 4 years ago
- ☆10Updated 4 months ago
- ☆12Updated 4 months ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆11Updated last year
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆16Updated last year
- Code and documentation for QSAR modeling and virtual screening of small molecule TMPRSS2 inhibitors☆9Updated 4 years ago