Machine Learning

Bootstrapping Swarm Artificial Neural Networks (BSANN)

Download the software (in Python programming language): here

Databases

This file contains all the experimental information from the literature (including the references).

Download the databases (Excel files): here

Comparison between BSANN and DeepDDG algorithms data (Excel Files): here

Datasets

This file contains all the experimental information about the datasets used in this study. It also includes the structures of the compounds as optimized using CHARMM program using AMBER force field.

Download the datasets (Excel files): here

Reference:

1. B. Rahmani and H. Kamberaj, Automation of (Macro)molecular Properties Using Bootstrapping Swarm Artificial Neural Network Method: A Machine Learning Approach, Submitted to J. Chem. Inf. Model., October 2019.
2. Merjem Hoxha and Hiqmet Kamberaj, Automation of Some Macromolecular Properties Using a Machine Learning Approach, Machine Learning: Science and Technology, under review, 2020.