Binary classifier to identify scientific publications reporting pharmacokinetic parameters estimated in vivo

A Flask web application to calculate and plot drug concentration over time.

A free, open-source tool for modeling chemical reaction networks in Python

Chi is an open source Python package which is designed for PKPD modelling and model-informed precision dosing (MIPD).

A modular inverse QSAR pipeline

Description of work done at Merck pharmaceutical company in the summer of 2018 as a Computational Drug Discovery Intern at West Point, PA. Information excludes all proprietary information belonging to Merck & Co.

PK Model is an up-and-coming Python package that strives to make pharmacokinetic modelling intuitive and user-friendly by providing a simple yet powerful model of drug delivery.

Simplest mathematical model for drug concentration in blood plasma vs. time

Customisable pharmacokinetic model accessible via bash CLI allowing for variable dose calculations as well as intravenous and subcutaneous administration calculations

Python project that simulates a Target Controlled Infusion pump for anesthesia delivery

Main code chunks used for models in the publication "Exploring the Potential of Adaptive, Local Machine Learning (ML) in Comparison ton the Prediction Performance of Global Models: A Case Study from Bayer's Caco-2 Permeability Database"

Simulate the absorption and elimination of drugs in real time using pharmacokinetic formulas.

A bunch of PK/PD patient models with various diseases for open-/closed-loop control systems

Repository for the Publication of the GUI: TRU-IMP

This set of scripts is designed to perform simple calculations. At the moment, it includes: mass convertor, buffer calculator, simple pharmacokinetic and picture points detection.

Open Python Web App for Pharmcological Modeling and Analysis

Application of rejection sampling and markov chain monte carlo (MCMC) algorithms to approximate bayesian computation (ABC). The project includes application of ABC to model the pharmacokinetics of theophylline.