Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling L Zhao, HL Ciallella, LM Aleksunes, H Zhu Drug discovery today 25 (9), 1624-1638, 2020 | 192 | 2020 |
Predicting nano–bio interactions by integrating nanoparticle libraries and quantitative nanostructure activity relationship modeling W Wang, A Sedykh, H Sun, L Zhao, DP Russo, H Zhou, B Yan, H Zhu ACS nano 11 (12), 12641-12649, 2017 | 97 | 2017 |
Experimental errors in QSAR modeling sets: what we can do and what we cannot do L Zhao, W Wang, A Sedykh, H Zhu ACS omega 2 (6), 2805-2812, 2017 | 67 | 2017 |
Mechanism-driven read-across of chemical hepatotoxicants based on chemical structures and biological data L Zhao, DP Russo, W Wang, LM Aleksunes, H Zhu Toxicological sciences 174 (2), 178-188, 2020 | 28 | 2020 |
Construction of a virtual opioid bioprofile: a data-driven QSAR modeling study to identify new analgesic opioids X Jia, HL Ciallella, DP Russo, L Zhao, MH James, H Zhu ACS sustainable chemistry & engineering 9 (10), 3909-3919, 2021 | 27 | 2021 |
Using a hybrid read-across method to evaluate chemical toxicity based on chemical structure and biological data Y Guo, L Zhao, X Zhang, H Zhu Ecotoxicology and environmental safety 178, 178-187, 2019 | 19 | 2019 |
Universal nanohydrophobicity predictions using virtual nanoparticle library W Wang, X Yan, L Zhao, DP Russo, S Wang, Y Liu, A Sedykh, X Zhao, ... Journal of cheminformatics 11, 1-5, 2019 | 16 | 2019 |
Multi-resolution classification of exhaled aerosol images to detect obstructive lung diseases in small airways J Xi, W Zhao, JE Yuan, B Cao, L Zhao Computers in Biology and Medicine 87, 57-69, 2017 | 13 | 2017 |
Big data in computational toxicology: challenges and opportunities L Zhao, H Zhu Computational Toxicology: Risk Assessment for Chemicals, 291-312, 2018 | 12 | 2018 |
Elucidation of the molecular determinants for optimal perfluorooctanesulfonate adsorption using a combinatorial nanoparticle library approach Y Liu, G Su, F Wang, J Jia, S Li, L Zhao, Y Shi, Y Cai, H Zhu, B Zhao, ... Environmental science & technology 51 (12), 7120-7127, 2017 | 11 | 2017 |
Molecular binding contributes to concentration dependent acrolein deposition in rat upper airways: CFD and molecular dynamics analyses J Xi, Q Hu, L Zhao, XA Si International Journal of Molecular Sciences 19 (4), 997, 2018 | 5 | 2018 |
Experimental errors in QSAR modeling sets: what we can do and what we cannot do. ACS Omega 2 (6): 2805–2812 L Zhao, W Wang, A Sedykh, H Zhu | 5 | 2017 |
Computational modeling for chemical toxicity assessment in the big data era: combining data-driven profiling and mechanism-driven read-across L Zhao Rutgers University-Camden Graduate School, 2020 | | 2020 |