JacekKedzierski

AKR1D1_InSilicoAssay

This is a molecular model intended to identify inhibitors of the AKR1D1 threw out virtual screening.

Basic-Introduction-to-Python-Course

This course is designed to provide you with a fundamental understanding of the Python programming language.

Fingerprints

This script is designed to perform chemical similarity calculations between a set of molecular templates and a collection of compounds. It utilizes the Open Babel (obabel) tool for generating molecular fingerprints and computing the similarity between each template and compound pair. The results are stored in CSV format for further analysis.

jacekkedzierski

jacekkedzierski.github.io

Professional Portfolio Website

PKCalculations

This script is designed to calculate various molecular descriptors for a collection of SDF files.

SRD5A2_InSilicoAssay

This is a molecular model intended to identify inhibitors of the SRD5A2 threw out virtual screening.

JacekKedzierski/Fingerprints

This script is designed to perform chemical similarity calculations between a set of molecular templates and a collection of compounds. It utilizes the Open Babel (obabel) tool for generating molecular fingerprints and computing the similarity between each template and compound pair. The results are stored in CSV format for further analysis.

JacekKedzierski/AKR1D1_InSilicoAssay

This is a molecular model intended to identify inhibitors of the AKR1D1 threw out virtual screening.

JacekKedzierski/Basic-Introduction-to-Python-Course

This course is designed to provide you with a fundamental understanding of the Python programming language.

JacekKedzierski/jacekkedzierski

JacekKedzierski/jacekkedzierski.github.io

Professional Portfolio Website

JacekKedzierski/PKCalculations

This script is designed to calculate various molecular descriptors for a collection of SDF files.

JacekKedzierski/SRD5A2_InSilicoAssay

This is a molecular model intended to identify inhibitors of the SRD5A2 threw out virtual screening.