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ACS Omega|April 14, 2025
pDILI_v1: A Web-Based Machine Learning Tool for Predicting Drug-Induced Liver Injury (DILI) Integrating Chemical Space Analysis and Molecular FingerprintsSk Abdul Amin, Supratik Kar, Stefano PiottoACS Omega|April 6, 2026
K OC-WebPredictor: An Open-Access Tool for Prediction and Insights into Soil SorptionLu Li, Sk Abdul Amin, Supratik Kar, et al.The Science of the Total Environment|September 20, 2025
Unveiling chemical space, scaffold diversity, critical structural features of pesticides: A comprehensive QSAR, qRASAR, machine learning studies to predict pesticides toxicitySupratik Kar, Sk Abdul Amin, Lu LiArchiv Der Pharmazie|September 23, 2025
AI/ML-Driven DPP-4 Inhibitor Predictor (d4p_v1) for Enhanced Type 2 Diabetes Mellitus Management: Insights Into Chemical Space, Fingerprints, and Electrostatic Potential MapsAnu Manhas, Ritam Dutta, Stefano Piotto, et al.Molecular Diversity|February 1, 2025
PPARγ modulator predictor (PGMP_v1): chemical space exploration and computational insights for enhanced type 2 diabetes mellitus managementSk Abdul Amin, Lucia Sessa, Shovanlal Gayen, et al.Biophysical Chemistry|February 20, 2025
A semiempirical and machine learning approach for fragment-based structural analysis of non-hydroxamate HDAC3 inhibitorsSk Abdul Amin, Lucia Sessa, Rajdip Tarafdar, et al.ACS Omega|September 15, 2025
First 4D-QSAR Study of Human Kynurenine 3 Monooxygenase (hKMO) Inhibitors: Integrating Chemical Space Networks and an Explainable Artificial Intelligence Platform for Neurodegenerative Disease Drug DiscoverySk Abdul Amin, Joao Pedro Gallo Almeida Do Val, João Paulo Ataide Martins, et al.European Journal of Medicinal Chemistry|June 22, 2020
Fight against novel coronavirus: A perspective of medicinal chemistsSk Abdul Amin, Tarun JhaFuture Medicinal Chemistry|June 29, 2018
Diverse classes of HDAC8 inhibitors: in search of molecular fingerprints that regulate activitySk Abdul Amin, Nilanjan Adhikari, Tarun JhaJournal of Biomolecular Structure & Dynamics|September 19, 2019
Development of decision trees to discriminate HDAC8 inhibitors and non-inhibitors using recursive partitioningSk Abdul Amin, Nilanjan Adhikari, Tarun JhaPageof 21