Hao Zhu
Hao Zhu
Professor of Biomedical Informatics and Genomics, Tulane University
Verified email at - Homepage
Cited by
Cited by
From machine learning to deep learning: progress in machine intelligence for rational drug discovery
L Zhang, J Tan, D Han, H Zhu
Drug discovery today 22 (11), 1680-1685, 2017
Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection
IV Tetko, I Sushko, AK Pandey, H Zhu, A Tropsha, E Papa, T Oberg, ...
Journal of chemical information and modeling 48 (9), 1733-1746, 2008
Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis
H Zhu, A Tropsha, D Fourches, A Varnek, E Papa, P Gramatica, T Oberg, ...
Journal of chemical information and modeling 48 (4), 766-784, 2008
Does rational selection of training and test sets improve the outcome of QSAR modeling?
TM Martin, P Harten, DM Young, EN Muratov, A Golbraikh, H Zhu, ...
Journal of chemical information and modeling 52 (10), 2570-2578, 2012
Big data and artificial intelligence modeling for drug discovery
H Zhu
Annual review of pharmacology and toxicology 60, 573-589, 2020
Quantitative structure− activity relationship modeling of rat acute toxicity by oral exposure
H Zhu, TM Martin, L Ye, A Sedykh, DM Young, A Tropsha
Chemical research in toxicology 22 (12), 1913-1921, 2009
Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches
Y Low, T Uehara, Y Minowa, H Yamada, Y Ohno, T Urushidani, A Sedykh, ...
Chemical research in toxicology 24 (8), 1251-1262, 2011
QSAR modeling of the blood–brain barrier permeability for diverse organic compounds
L Zhang, H Zhu, TI Oprea, A Golbraikh, A Tropsha
Pharmaceutical research 25, 1902-1914, 2008
Estimation of the aqueous solubility of organic molecules by the group contribution approach
G Klopman, H Zhu
Journal of chemical information and computer sciences 41 (2), 439-445, 2001
Toward Good Read-Across Practice (GRAP) guidance.
N Ball, MT Cronin, J Shen, MD Adenuga, K Blackburn, ED Booth, ...
ALTEX 33 (2), 149-166, 2016
Big data in chemical toxicity research: the use of high-throughput screening assays to identify potential toxicants
H Zhu, J Zhang, MT Kim, A Boison, A Sedykh, K Moran
Chemical research in toxicology 27 (10), 1643-1651, 2014
Advancing Computational Toxicology in the Big Data Era by Artificial Intelligence: Data-Driven and Mechanism-Driven Modeling for Chemical Toxicity
HL Ciallella, H Zhu
Chemical research in toxicology 32 (4), 536-547, 2019
Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction
DP Russo, KM Zorn, AM Clark, H Zhu, S Ekins
Molecular pharmaceutics 15 (10), 4361-4370, 2018
Use of in Vitro HTS-Derived Concentration–Response Data as Biological Descriptors Improves the Accuracy of QSAR Models of in Vivo Toxicity
A Sedykh, H Zhu, H Tang, L Zhang, A Richard, I Rusyn, A Tropsha
Environmental health perspectives 119 (3), 364-370, 2011
Modeling Liver-Related Adverse Effects of Drugs Using kNearest Neighbor Quantitative Structure−Activity Relationship Method
AD Rodgers, H Zhu, D Fourches, I Rusyn, A Tropsha
Chemical research in toxicology 23 (4), 724-732, 2010
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
Tuning cell autophagy by diversifying carbon nanotube surface chemistry
L Wu, Y Zhang, C Zhang, X Cui, S Zhai, Y Liu, C Li, H Zhu, G Qu, G Jiang, ...
ACS nano 8 (3), 2087-2099, 2014
Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening
L Zhang, D Fourches, A Sedykh, H Zhu, A Golbraikh, S Ekins, J Clark, ...
Journal of chemical information and modeling 53 (2), 475-492, 2013
Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR-and structure-based virtual screening approaches
L Zhang, A Sedykh, A Tripathi, H Zhu, A Afantitis, VD Mouchlis, ...
Toxicology and applied pharmacology 272 (1), 67-76, 2013
Critical evaluation of human oral bioavailability for pharmaceutical drugs by using various cheminformatics approaches
MT Kim, A Sedykh, SK Chakravarti, RD Saiakhov, H Zhu
Pharmaceutical research 31, 1002-1014, 2014
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