PyChelator: a Python-based Colab and web application for metal chelator calculations.

ABSTRACT:

Background

Metal ions play vital roles in regulating various biological systems, making it essential to control the concentration of free metal ions in solutions during experimental procedures. Several software applications exist for estimating the concentration of free metals in the presence of chelators, with MaxChelator being the easily accessible choice in this domain. This work aimed at developing a Python version of the software with arbitrary precision calculations, extensive new features, and a user-friendly interface to calculate the free metal ions.

Results

We introduce the open-source PyChelator web application and the Python-based Google Colaboratory notebook, PyChelator Colab. Key features aim to improve the user experience of metal chelator calculations includi

SUBMITTER: Spahiu E 

PROVIDER: S-EPMC11253343 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature