I delivered a talk introducing KNIME as a powerful tool for data analysis, explained molecular fingerprints and descriptors along with their associated file formats, and demonstrated fundamental machine learning concepts. Additionally, I guided participants through the process of building machine learning models and creating automated pipelines using KNIME.

Installation Demo

KNIME (Windows, Linux & Mac)

Theory

Introduction to KNIME : Nodes and Workflows

Knime Demonstration

Cheminformatics in Knime, Reading and writing SDFm SMILES etc, Molecular descriptors, Create machine learning models

Hands on

Chemoinformatics in Knime, Reading and writing SDF, SMILES etc, Molecular descriptors, Create machine learning models