Application of artificial intelligence and machine learning in early detection of adverse drug reactions (ADRs) and drug-induced toxicity S Yang, S Kar Artificial Intelligence Chemistry, 100011, 2023 | 13 | 2023 |
Subtle distinction in molecular structure of flavonoids leads to vastly different coating efficiency and mechanism of metal-polyphenol networks with excellent antioxidant … N Li, Z Shou, S Yang, X Cheng, C Chen, S Zheng, Y Shi, H Tang Colloids and Surfaces B: Biointerfaces 229, 113454, 2023 | 5 | 2023 |
Tools and software for computer-aided drug design and discovery S Yang, S Kar, J Leszczynski Cheminformatics, QSAR and machine learning applications for novel drug …, 2023 | 3 | 2023 |
First report on chemometric modeling of tilapia fish aquatic toxicity to organic chemicals: Toxicity data gap filling S Yang, S Kar Science of The Total Environment 907, 167991, 2024 | 2 | 2024 |
Are we ready to fight the Nipah virus pandemic? An overview of drug targets, current medications, and potential leads S Yang, S Kar Structural Chemistry 34 (6), 2119-2137, 2023 | 2 | 2023 |
Computer-assisted identification of potential quinolone derivatives targeting Nipah virus glycoprotein attachment with human cell surface receptor ephrin-B2: Multistep virtual … S Yang, S Kar Computers in Biology and Medicine 163, 107240, 2023 | 2 | 2023 |
Protracted molecular dynamics and secondary structure introspection to identify dual-target inhibitors of Nipah virus exerting approved small molecules repurposing S Yang, S Kar Scientific Reports 14 (1), 3696, 2024 | | 2024 |
Identification of a potential quinolone-derivative as therapeutic agent for Nipah virus infection targeting NiV-G and Ephrin-B2: A multistep virtual screening S Yang, S Kar ACS FALL 2023 3919803 (Poster Board #3010), 2023 | | 2023 |
SMILES and Quasi-SMILES in QSAR Modeling for Prediction of Physicochemical and Biochemical Properties S Yang, S Kar, J Leszczynski QSPR/QSAR Analysis Using SMILES and Quasi-SMILES, 327-348, 2023 | | 2023 |