| Project Title: | MECHANISTIC EVALUATION OF CHEMICALS THAT INDUCE ORAL ACUTE TOXICITY BY NOVEL READ-ACROSS APPROACHES USING PUBLIC BIG DATA |
|---|---|
| PI: | Zhu, Hao |
| Institution: | Rutgers The State Univ Of Nj Camden |
| Grant Number: | R15ES023148 |
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| Publication Title | Authors | Grant Number(s) | Journal (Pub date) | PubMed Link | Pub Year |
|---|---|---|---|---|---|
| Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling ... | Zhao, Linlin; Ciallella, Heather L; Aleksunes, Lauren M; Zhu, Hao | P30ES005022, R01ES031080, R15ES023148, R15ES023148 | Drug Discov Today (2020 09) |
32663517
|
2020 |
| Analysis of model PM2.5-induced inflammation and cytotoxicity by the combination of a virtual carbon ... | Liu, Guohong; Yan, Xiliang; Sedykh, Alexander; Pan, Xiujiao; Zhao, Xiaoli; Yan, Bing; Zhu, Ha ... | R15ES023148, R15ES023148 | Ecotoxicol Environ Saf (2020 Mar 15) |
31972454
|
2020 |
| Big Data and Artificial Intelligence Modeling for Drug Discovery. | Zhu, Hao | R15ES023148, R15ES023148 | Annu Rev Pharmacol Toxicol (2020 01 06) |
31518513
|
2020 |
| Construction of a web-based nanomaterial database by big data curation and modeling friendly nanostr ... | Yan, Xiliang; Sedykh, Alexander; Wang, Wenyi; Yan, Bing; Zhu, Hao | P30ES005022, R01ES031080, R15ES023148, R15ES023148 | Nat Commun (2020 05 20) |
32433469
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2020 |
| Mechanism-Driven Read-Across of Chemical Hepatotoxicants Based on Chemical Structures and Biological ... | Zhao, Linlin; Russo, Daniel P; Wang, Wenyi; Aleksunes, Lauren M; Zhu, Hao | P30ES005022, R01ES031080, R15ES023148, R15ES023148 | Toxicol Sci (2020 04 01) |
32073637
|
2020 |
| Predictive modeling of estrogen receptor agonism, antagonism, and binding activities using machine- ... | Ciallella, Heather L; Russo, Daniel P; Aleksunes, Lauren M; Grimm, Fabian A; Zhu, Hao | P30ES005022, R01ES031080, R15ES023148, R15ES023148 | Lab Invest (2020 Aug 10) |
32778734
|
2020 |
| Advancing Computational Toxicology in the Big Data Era by Artificial Intelligence: Data-Driven and M ... | Ciallella, Heather L; Zhu, Hao | R15ES023148, R15ES023148 | Chem Res Toxicol (2019 04 15) |
30907586
|
2019 |
| Nonanimal Models for Acute Toxicity Evaluations: Applying Data-Driven Profiling and Read-Across. | Russo, Daniel P; Strickland, Judy; Karmaus, Agnes L; Wang, Wenyi; Shende, Sunil; Hartung, Thom ... | R15ES023148, R15ES023148 | Environ Health Perspect (2019 04) |
30933541
|
2019 |
| Using a hybrid read-across method to evaluate chemical toxicity based on chemical structure and biol ... | Guo, Yajie; Zhao, Linlin; Zhang, Xiaoyi; Zhu, Hao | R15ES023148, R15ES023148 | Ecotoxicol Environ Saf (2019 Aug 30) |
31004930
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2019 |
| Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction. | Russo, Daniel P; Zorn, Kimberley M; Clark, Alex M; Zhu, Hao; Ekins, Sean | R15ES023148, R15ES023148 | Mol Pharm (2018 10 01) |
30114914
|
2018 |
| Alternative approaches for identifying acute systemic toxicity: Moving from research to regulatory t ... | Hamm, Jon; Sullivan, Kristie; Clippinger, Amy J; Strickland, Judy; Bell, Shannon; Bhhatarai, B ... | P30ES005022, R15ES023148, R15ES023148 | Toxicol In Vitro (2017 Jun) |
28069485
|
2017 |
| CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological ... | Russo, Daniel P; Kim, Marlene T; Wang, Wenyi; Pinolini, Daniel; Shende, Sunil; Strickland, Jud ... | P30ES005022, R15ES023148, R15ES023148 | Bioinformatics (2017 02 01) |
28172359
|
2017 |
| Elucidation of the Molecular Determinants for Optimal Perfluorooctanesulfonate Adsorption Using a Co ... | Liu, Yin; Su, Gaoxing; Wang, Fei; Jia, Jianbo; Li, Shuhuan; Zhao, Linlin; Shi, Yali; Cai, Ya ... | R15ES023148, R15ES023148 | Environ Sci Technol (2017 Jun 20) |
28537376
|
2017 |
| Experimental Errors in QSAR Modeling Sets: What We Can Do and What We Cannot Do. | Zhao, Linlin; Wang, Wenyi; Sedykh, Alexander; Zhu, Hao | P30ES005022, R15ES023148, R15ES023148 | ACS Omega (2017 Jun 30) |
28691113
|
2017 |
| Predicting Nano-Bio Interactions by Integrating Nanoparticle Libraries and Quantitative Nanostructur ... | Wang, Wenyi; Sedykh, Alexander; Sun, Hainan; Zhao, Linlin; Russo, Daniel P; Zhou, Hongyu; Yan, ... | P30ES005022, R15ES023148, R15ES023148 | ACS Nano (2017 12 26) |
29149552
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2017 |
| Toward a systematic exploration of nano-bio interactions. | Bai, Xue; Liu, Fang; Liu, Yin; Li, Cong; Wang, Shenqing; Zhou, Hongyu; Wang, Wenyi; Zhu, Hao ... | P30ES005022, R15ES023148, R15ES023148 | Toxicol Appl Pharmacol (2017 05 15) |
28344110
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2017 |
| Accessing the High-Throughput Screening Data Landscape. | Russo, Daniel P; Zhu, Hao | R15ES023148, R15ES023148 | Methods Mol Biol (2016) |
27518633
|
2016 |
| Analysis of Draize eye irritation testing and its prediction by mining publicly available 2008-2014 ... | Luechtefeld, Thomas; Maertens, Alexandra; Russo, Daniel P; Rovida, Costanza; Zhu, Hao; Hartung, ... | R15ES023148, R15ES023148, T32ES007141 | ALTEX (2016) |
26863293
|
2016 |
| Analysis of public oral toxicity data from REACH registrations 2008-2014. | Luechtefeld, Thomas; Maertens, Alexandra; Russo, Daniel P; Rovida, Costanza; Zhu, Hao; Hartung, ... | R15ES023148, R15ES023148, T32ES007141 | ALTEX (2016) |
26863198
|
2016 |
| Analysis of publically available skin sensitization data from REACH registrations 2008-2014. | Luechtefeld, Thomas; Maertens, Alexandra; Russo, Daniel P; Rovida, Costanza; Zhu, Hao; Hartung, ... | R15ES023148, R15ES023148, T32ES007141 | ALTEX (2016) |
26863411
|
2016 |
| CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological ... | Russo, Daniel P; Kim, Marlene T; Wang, Wenyi; Pinolini, Daniel; Shende, Sunil; Strickland, Jud ... | P30ES005022, R15ES023148, R15ES023148 | Bioinformatics (2016 Oct 14) |
27742693
|
2016 |
| Curating and Preparing High-Throughput Screening Data for Quantitative Structure-Activity Relationsh ... | Kim, Marlene T; Wang, Wenyi; Sedykh, Alexander; Zhu, Hao | R15ES023148, R15ES023148 | Methods Mol Biol (2016) |
27518634
|
2016 |
| Discovery of Novel Tricyclic Thiazepine Derivatives as Anti-Drug-Resistant Cancer Agents by Combinin ... | Xiang, Jinbao; Zhang, Zhuoqi; Mu, Yan; Xu, Xianxiu; Guo, Sigen; Liu, Yongjin; Russo, Daniel P ... | P30ES005022, R15ES023148, R15ES023148 | ACS Comb Sci (2016 05 09) |
27082930
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2016 |
| From fighting depression to conquering tumors: a novel tricyclic thiazepine compound as a tubulin po ... | Mu, Y; Liu, Y; Xiang, J; Zhang, Q; Zhai, S; Russo, D P; Zhu, H; Bai, X; Yan, B | R15ES023148, R15ES023148 | Cell Death Dis (2016 Mar 17) |
26986511
|
2016 |
| Global analysis of publicly available safety data for 9,801 substances registered under REACH from 2 ... | Luechtefeld, Thomas; Maertens, Alexandra; Russo, Daniel P; Rovida, Costanza; Zhu, Hao; Hartung, ... | R15ES023148, R15ES023148, T32ES007141 | ALTEX (2016) |
26863090
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2016 |
| Mechanism Profiling of Hepatotoxicity Caused by Oxidative Stress Using Antioxidant Response Element ... | Kim, Marlene Thai; Huang, Ruili; Sedykh, Alexander; Wang, Wenyi; Xia, Menghang; Zhu, Hao | P30ES005022, R15ES023148, R15ES023148 | Environ Health Perspect (2016 05) |
26383846
|
2016 |
| Predictive Modeling of Estrogen Receptor Binding Agents Using Advanced Cheminformatics Tools and Mas ... | Ribay, Kathryn; Kim, Marlene T; Wang, Wenyi; Pinolini, Daniel; Zhu, Hao | P30ES005022, R15ES023148, R15ES023148 | Front Environ Sci (2016 Mar) |
27642585
|
2016 |
| Supporting read-across using biological data. | Zhu, Hao; Bouhifd, Mounir; Donley, Elizabeth; Egnash, Laura; Kleinstreuer, Nicole; Kroese, E D ... | P30ES005022, R15ES023148, R15ES023148, T32ES007141 | ALTEX (2016) |
26863516
|
2016 |
| Toward Good Read-Across Practice (GRAP) guidance. | Ball, Nicholas; Cronin, Mark T D; Shen, Jie; Blackburn, Karen; Booth, Ewan D; Bouhifd, Mounir; ... | P30ES005022, R15ES023148, R15ES023148, T32ES007141 | ALTEX (2016) |
26863606
|
2016 |
| Developing Enhanced Blood-Brain Barrier Permeability Models: Integrating External Bio-Assay Data in ... | Wang, Wenyi; Kim, Marlene T; Sedykh, Alexander; Zhu, Hao | R15ES023148, R15ES023148 | Pharm Res (2015 Sep) |
25862462
|
2015 |
| Experimental modulation and computational model of nano-hydrophobicity. | Li, Shuhuan; Zhai, Shumei; Liu, Yin; Zhou, Hongyu; Wu, Jinmei; Jiao, Qing; Zhang, Bin; Zhu, ... | R15ES023148, R15ES023148 | Biomaterials (2015 Jun) |
25818437
|
2015 |
| Improving both aqueous solubility and anti-cancer activity by assessing progressive lead optimizatio ... | Liu, Yin; Li, Fei; Wu, Ling; Wang, Wenyi; Zhu, Hao; Zhang, Qiu; Zhou, Hongyu; Yan, Bing | R15ES023148, R15ES023148 | Bioorg Med Chem Lett (2015 May 01) |
25827524
|
2015 |
| Big data in chemical toxicity research: the use of high-throughput screening assays to identify pote ... | Zhu, Hao; Zhang, Jun; Kim, Marlene T; Boison, Abena; Sedykh, Alexander; Moran, Kimberlee | R15ES023148, R15ES023148 | Chem Res Toxicol (2014 Oct 20) |
25195622
|
2014 |
| Critical evaluation of human oral bioavailability for pharmaceutical drugs by using various cheminfo ... | Kim, Marlene T; Sedykh, Alexander; Chakravarti, Suman K; Saiakhov, Roustem D; Zhu, Hao | R15ES023148, R15ES023148 | Pharm Res (2014 Apr) |
24306326
|
2014 |
| Design, synthesis and experimental validation of novel potential chemopreventive agents using random ... | Sprague, Brienne; Shi, Qian; Kim, Marlene T; Zhang, Liying; Sedykh, Alexander; Ichiishi, Eiich ... | R15ES023148, R15ES023148 | J Comput Aided Mol Des (2014 Jun) |
24840854
|
2014 |
| Profiling animal toxicants by automatically mining public bioassay data: a big data approach for com ... | Zhang, Jun; Hsieh, Jui-Hua; Zhu, Hao | R15ES023148, R15ES023148 | PLoS One (2014) |
24950175
|
2014 |
| Tuning cell autophagy by diversifying carbon nanotube surface chemistry. | Wu, Ling; Zhang, Yi; Zhang, Chengke; Cui, Xuehui; Zhai, Shumei; Liu, Yin; Li, Changlong; Zhu, ... | R15ES023148, R15ES023148 | ACS Nano (2014 Mar 25) |
24552177
|
2014 |
| Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening. | Zhang, Liying; Fourches, Denis; Sedykh, Alexander; Zhu, Hao; Golbraikh, Alexander; Ekins, Sean ... | R15ES023148, R15ES023148 | J Chem Inf Model (2013 Feb 25) |
23252936
|
2013 |
| From QSAR to QSIIR: searching for enhanced computational toxicology models. | Zhu, Hao | R15ES023148, R15ES023148 | Methods Mol Biol (2013) |
23086837
|
2013 |
| Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux an ... | Sedykh, Alexander; Fourches, Denis; Duan, Jianmin; Hucke, Oliver; Garneau, Michel; Zhu, Hao; B ... | R15ES023148, R15ES023148 | Pharm Res (2013 Apr) |
23269503
|
2013 |
| Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and ... | Zhang, Liying; Sedykh, Alexander; Tripathi, Ashutosh; Zhu, Hao; Afantitis, Antreas; Mouchlis, ... | R15ES023148, R15ES023148 | Toxicol Appl Pharmacol (2013 Oct 01) |
23707773
|
2013 |
| The use of pseudo-equilibrium constant affords improved QSAR models of human plasma protein binding. | Zhu, Xiang-Wei; Sedykh, Alexander; Zhu, Hao; Liu, Shu-Shen; Tropsha, Alexander | R15ES023148, R15ES023148 | Pharm Res (2013 Jul) |
23568522
|
2013 |
| Predicting chemical ocular toxicity using a combinatorial QSAR approach. | Solimeo, Renee; Zhang, Jun; Kim, Marlene; Sedykh, Alexander; Zhu, Hao | R15ES023148, R15ES023148 | Chem Res Toxicol (2012 Dec 17) |
23148656
|
2012 |