Random Forest Based QSAR Model Analysis for Predicting Drug Effectiveness Against Mycobacterium Tuberculosis Bacteria

This research focuses on the use of machine learning methods, especially Random Forest, in designing tuberculosis drugs more effectively and efficiently. The research process begins with the creation of a QSAR (Quantitative Structure-Activity Relationship) model using a dataset from ChEMBL that includes compounds with activity against Mycobacterium tuberculosis. This model aims to predict the pIC50 value, which is an indicator of a compound's biological activity as a tuberculosis drug. The results of the Random Forest model showed high accuracy, which is 92%. This accuracy indicates that the model has a good ability in predicting the effectiveness of compounds against Mycobacterium tuberculosis. With this result, the developed model can be used as an auxiliary tool in the discovery of tuberculosis drugs and can be further developed to increase the effectiveness in drug research.

Authors

Institutions

Publication Details

Published
2024-09-04
DOI
https://doi.org/10.1109/iciss62896.2024.10750957
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Random Forest Based QSAR Model Analysis for Predicting Drug Effectiveness Against Mycobacterium Tuberculosis Bacteria

Nora Fitriawati, Maria Susan Anggreainy, Brychan Artanto, Alicia Josephine Ekosputri et al.
Computational Drug Discovery Methods
article

Random Forest Based QSAR Model Analysis for Predicting Drug Effectiveness Against Mycobacterium Tuberculosis Bacteria

Nora Fitriawati, Maria Susan Anggreainy, Brychan Artanto, Alicia Josephine Ekosputri, Amanda Ardianti, Fanny Angelia Valentina, Vincent Kartamulya Santoso
article en

Abstract

This research focuses on the use of machine learning methods, especially Random Forest, in designing tuberculosis drugs more effectively and efficiently. The research process begins with the creation of a QSAR (Quantitative Structure-Activity Relationship) model using a dataset from ChEMBL that includes compounds with activity against Mycobacterium tuberculosis. This model aims to predict the pIC50 value, which is an indicator of a compound's biological activity as a tuberculosis drug. The results of the Random Forest model showed high accuracy, which is 92%. This accuracy indicates that the model has a good ability in predicting the effectiveness of compounds against Mycobacterium tuberculosis. With this result, the developed model can be used as an auxiliary tool in the discovery of tuberculosis drugs and can be further developed to increase the effectiveness in drug research.

Binus University (ID)
Zero hunger
Openalex Percentile: Top 75%
Computational Drug Discovery Methods
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.