Classification models for CaCo-2 permeability using chemical information and machine learning techniques: Scope and limitations. - Geervani Koneti; Dipayan Ghosh; Narayanan Ramamurthi (BIBM, 2017)

"Parallelized variable selection and modeling based on prediction" algorithm on GPU for feature selection and ADMET model generation. - Geervani Koneti; Narayanan Ramamurthi (BIBM, 2017)

Hybrid Modified League Championship Algorithm and its Applications in Compartmental Pharmacokinetic-Pharmacodynamic Data Analysis. - Shyam Sundar Das; Geervani Koneti; Narayanan Ramamurthi (BIBM, 2022)

Discovering the Knowledge in Unstructured Early Drug Development Data Using NLP and Advanced Analytics. - Geervani Koneti; Shyam Sundar Das; Jyotsna Bahl; Pritish Ranjan; Narayanan Ramamurthi (BIBM, 2022)

Parallelized Population Based Exhaustive Replacement Method for Reproducible Features Selection and Its Applications in Drug Discovery. - Geervani Koneti; Mastan Vali Shaik; Shyam Sundar Das; Narayanan Ramamurthi (BIBM, 2022)

AutoML in Drug Discovery: Side-Effects Prediction Using AutoGluon Framework and Its Applications in Drug Discovery. - Ayush Garg; Shyam Sundar Das; Narayanan Ramamurthi (BCB, 2023)

Drug Target Prioritization Based on Ligand Binding Pocket and Disease-Target Association Scores. - Ayush Garg; Shyam Sundar Das; Narayanan Ramamurthi (BCB, 2023)

Investigation of Drug Repurposing Opportunities Using Side-effects data, Topic Modelling and Clustering Algorithms. - Pritish Ranjan; Shyam Sundar Das; Narayanan Ramamurthi (BCB, 2023)

Prediction of Drug-Induced Nephrotoxicity Using Chemical Information and Transcriptomics Data. - Hemanth Chenga; Ayush Garg; Shyam Sundar Das; Narayanan Ramamurthi (J. Chem. Inf. Model., 2025)

Addressing Imbalanced Classification Problems in Drug Discovery and Development Using Random Forest, Support Vector Machine, AutoGluon-Tabular, and H2O AutoML. - Ayush Garg; Narayanan Ramamurthi; Shyam Sundar Das (J. Chem. Inf. Model., 2025)