This directory witll contain all codes and examples related to application of Machine Learning in CADD

Contents :

1. Quantitative Structure Activity Relationship (QSAR) with open source ML algorithms.
2. Quantitative Structure Property Relationship (QSPR) with open source ML algorithms.
3. de-novo drug design
4. ML in ADMET prediction

Note

Applications of ML in MD can be found inside the MD simulations page