Journal Articles
A full list of NICEATM and ICCVAM publications is available on the NTP website.
Abedini JA, Cook B, Bell S, Chang X, Choksi N, Daniel AB, Hines D, Karmaus AL, Mansouri K, McAfee E, Phillips J, Rooney J, Sprankle CS, Allen D, Casey W, Kleinstreuer N. 2021. Application of new approach methodologies: ICE tools to support chemical evaluations. Comput Toxicol 20:100184. https://doi.org/10.1016/j.comtox.2021.100184.
Allen D, Rooney J, Kleinstreuer N, Lowit A, Perron M. 2021. Retrospective analysis of dermal absorption triple pack data. ALTEX 38(3):463-476. https://doi.org/10.14573/altex.2101121.
Alves VM, Auerbach SS, Kleinstreuer NC, Rooney JP, Muratov EN, Rusyn I, Tropsha A, Schmitt C. 2021. Curated data in — trustworthy in silico models out: the impact of data quality on the reliability of artificial intelligence models as alternatives to animal testing. ATLA 49(3):73-82. https://doi.org/10.1177/02611929211029635.
Bassan A, Alves V, Amberg A, Anger LT, Auerbach S, Beilke L, Bender A, Cronin MTD, Cross KP, Hsieh JH, Greene N, Kemper R, Kim MT, Mumtaz M, Noeske T, Pavan M, Pletz J, Russo DP, Sabnis Y, Schaefer M, Szabo DT, Valentin JP, Wichard J, Williams D, Wooley D, Zwickl C, Myatt GJ. 2021. In silico approaches in organ toxicity hazard assessment: Current status and future needs in predicting liver toxicity. Comput Toxicol 20:100187. https://doi.org/10.1016/j.comtox.2021.100187.
Bassan A, Alves V, Amberg A, Anger LT, Beilke L, Bender A, Bernal A, Cronin MTD, Hsieh JH, Johnson C, Kemper R, Mumtaz M, Nielson L, Pavan M, Pointon A, Pletz J, Ruiz P, Russo DP, Sabnis Y, Sandhu R, Schaefer M, Stavitskaya L, Szabo DT, Valentin JP, Wooley D, Zwickl C, Myatt GJ. 2021. In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities. Comput Toxicol 20:100188. https://doi.org/10.1016/j.comtox.2021.100188.
Bell S, Abedini J, Ceger P, Chang X, Cook B, Karmaus AL, Lea I, Mansouri K, Phillips J, McAfee E, Rai R, Rooney J, Sprankle C, Tandon A, Allen D, Casey W, Kleinstreuer N. 2020. An integrated chemical environment with tools for chemical safety testing. Toxicol In Vitro 67:104916. https://doi.org/10.1016/j.tiv.2020.104916.
Borba J, Braga RC, Alves VM, Muratov EN, Kleinstreuer NC, Tropsha A, Andrade CH. 2021. Pred-Skin: A web portal for accurate prediction of human skin sensitizers. Chem Res Toxicol 34(2):258-267. https://doi.org/10.1021/acs.chemrestox.0c00186.
Borrel A, Auerbach S, Houck KA, Kleinstreuer NC. 2020. Tox21BodyMap: a webtool to map chemical effects on the human body. Nucleic Acids Res 48(W1):W472-W476. https://doi.org/10.1093/nar/gkaa433. Intramural Paper of the Month, NIEHS Environmental Factor August 2020.
Borrel A, Huang R, Sakamuru S, Xia M, Simeonov A, Mansouri K, Houck KA, Judson RS, Kleinstreuer NC. 2020. High-throughput screening to predict chemical-assay interference. Sci Rep 10:3986. https://doi.org/10.1038/s41598-020-60747-3.
Borrel A, Mansouri K, Nolte S, Saddler T, Conway M, Schmitt C, Kleinstreuer NC. 2020. InterPred: a webtool to predict chemical autofluorescence and luminescence interference. Nucleic Acids Res 48(W1):W586–W590. https://doi.org/10.1093/nar/gkaa378.
Brown J, Clippinger AJ, Briglia CF, Casey W, Coleman K, Fritsch A, Hartung T, Maouyo D, Muller T, Reich J, Robert L, Roeder R, Sanchez G, Sawyer AY, Solati S, Tirumalai R, Zwisler W, Allen D. 2021. Using the monocyte activation test as a stand-alone release test for medical devices. ALTEX 38(1):151-156. https://doi.org/10.14573/altex.2012021.
Choksi N, Lebrun S, Nguyen M, Daniel A, DeGeorge G, Willoughby J, Layton A, Lowther D, Merrill J, Matheson J, Barroso J, Yozzo K, Casey W, Allen D. 2020. Validation of the OptiSafe™ eye irritation test . Cutan Ocul Toxicol 39(3):180-192. https://doi.org/10.1080/15569527.2020.1787431. Paper of the Year (2020), Society of Toxicology Ocular Toxicity Specialty Section.
Clippinger AJ, Raabe HA, Allen DG, Choksi N, van der Zalm A, Kleinstreuer N, Barroso J, Lowit AB. 2021. Human-relevant approaches to assess eye corrosion/irritation potential of agrochemical formulations. Cutan Ocul Toxicol 40(2):145-167. https://doi.org/10.1080/15569527.2021.1910291.
Comess S, Akbay A, Vasiliou M, Hines RN, Joppa L, Vasiliou V, Kleinstreuer N. 2020. Bringing big data to bear in environmental health: challenges and recommendations. Front Artif Intell 3:31. https://doi.org/10.3389/frai.2020.00031.
Eskes C, Casati S, Kleinstreuer N, Ezendam J. 2021. Usefulness and applicability of integrated strategy approaches in toxicology. Appl In Vitro Toxicol 7(3):89-90. https://doi.org/10.1089/aivt.2021.0021.
Groff K, Allen D, Casey W, Clippinger A. 2020. Increasing the use of animal-free recombinant antibodies. ALTEX 37(2):309-311. https://doi.org/10.14573/altex.2001071.
Hagstrom A, Anastas P, Boissevain A, Borrel A, Deziel N, Fenton S, Fields C, Fortner J, Franceschi-Hofmann N, Frigon R, Jin L, Kim JH, Kleinstreuer N, Koelmel J, Lei Y, Liew Z, Ma X, Mathieu L, Nason S, Organtini K, Oulhote Y, Pociu S, Godri Pollitt K, Saiers J, Thompson D, Toal B, Weiner E, Whirledge S, Zhang Y, Vasiliou V. 2021. Yale School of Public Health Symposium: An overview of the challenges and opportunities associated with per- and polyfluoroalkyl substances (PFAS). Sci Total Environ 778:146192. https://doi.org/10.1016/j.scitotenv.2021.146192.
Hamm J, Allen D, Ceger P, Flint T, Lowit A, O'Dell L, Tao J, Kleinstreuer N. 2021. Performance of the GHS Mixtures Equation for predicting acute oral toxicity. Reg Toxicol Pharmacol. https://doi.org/10.1016/j.yrtph.2021.105007.
Jain S, Siramshetty VB, Alves VN, Muratov EN, Kleinstreuer NC, Tropsha A, Nicklaus MC, Simeonov N, Zakharov AV. 2021. Large-scale modeling of multispecies acute toxicity end points using consensus of multitask deep learning methods. J Chem Inf Modeling 61(2):653-663. https://doi.org/10.1021/acs.jcim.0c01164.
Judson R, Houck K, Paul Friedman K, Brown J, Browne P, Johnston PA, Close DA, Mansouri K, Kleinstreuer N. 2020. Selecting a minimal set of androgen receptor assays for screening chemicals. Reg Toxicol Pharmacol 117:104764. https://doi.org/10.1016/j.yrtph.2020.104764.
Kleinstreuer N, Holmes A. 2021. Harnessing the power of microphysiological systems for COVID-19 research. Drug Discov Today 26(11):2496-2501. https://doi.org/10.1016/j.drudis.2021.06.020.
Kleinstreuer NC, Tong W, Tetko IV. 2020. Computational toxicology [Editorial]. Chem Res Toxicol 33(3):687-688. https://doi.org/10.1021/acs.chemrestox.0c00070.
Knudsen TB, Fitzpatrick SC, De Abrew KN, Birnbaum LS, Chappelle A, Daston GP, Dolinoy DC, Elder A, Euling S, Faustman EM, Fedinick KP, Fransoza JA, Haggard DE, Haws L, Kleinstreuer N, Louis GMB, Mendrick DL, Rudel R, Saili KS, Schug TT, Tanguay RL, Turley AE, Wetmore BA, White KW, Zurlinden TJ. 2021. FutureTox IV workshop summary: Predictive Toxicology for Healthy Children. Toxicol Sci 180(2):198-211. https://doi.org/10.1093/toxsci/kfab013.
Krishna S, Berridge B, Kleinstreuer NC. 2021. High-throughput screening to identify chemical cardiotoxic potential. Chem Res Toxicol 34(2):566-583. https://doi.org/10.1021/acs.chemrestox.0c00382.
Li X, Kleinstreuer NC, Fourches D. 2020. Hierarchical quantitative and structure-activity relationship modeling approach for integrating binary, multiclass, and regression models of acute oral systemic toxicity. Chem Res Toxicol 33(2):353-366. https://doi.org/10.1021/acs.chemrestox.9b00259.
Mansouri K, Karmaus AL, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen THE, Allen DG, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, Bhattacharya S, Bastos JV, Boyd S, Brown JB, Capuzzi SJ, Chushak Y, Ciallella H, Clark AM, Consonni V, Daga PR, Ekins S, Farag S, Fedorov M, Fourches D, Gadaleta D, Gao F, Gearhart JM, Goh G, Goodman JM, Grisoni F, Grulke CM, Hartung T, Hirn M, Karpov P, Korotcov A, Lavado GJ, Lawless M, Li X, Luechtefeld T, Lunghini F, Mangiatordi GF, Marcou G, Marsh D, Martin T, Mauri A, Muratov EN, Myatt GJ, Nguyen DT, Nicolotti O, Note R, Pande P, Parks AK, Peryea T, Polash AH, Rallo R, Roncaglioni A, Rowlands C, Ruiz P, Russo DP, Sayed A, Sayre R, Sheils T, Siegel C, Silva AC, Simeonov A, Sosnin S, Southall N, Strickland J, Tang Y, Teppen B, Tetko IV, Thomas D, Tkachenko V, Todeschini R, Toma C, Tripodi I, Trisciuzzi D, Tropsha A, Varnek A, Vukovic K, Wang Z, Wang L, Waters KM, Wedlake AJ, Wijeyesakere SJ, Wilson D, Xiao Z, Yang H, Zahoranszky-Kohalmi G, Zakharov AV, Zhang FF, Zhang Z, Zhao T, Zhu H, Zorn KM, Casey W, Kleinstreuer NC. 2021. CATMoS: Collaborative Acute Toxicity Modeling Suite. Environ Health Perspect 129:47013. https://doi.org/10.1289/EHP8495.
Mansouri K, Kleinstreuer N, Abdelaziz AM, Alberga D, Alves VM, Andersson PL, Andrade CH, Bai F, Balabin I, Ballabio D, Benfenati E, Bhhatari B, Boyer S, Chen J, Consonni V, Farag S, Fourches D, Garcia-Sosa AT, Gramatica P, Grisoni F, Grulke CM, Hong H, Horvath D, Hu X, Huang R, Jeliazkova N, Li J, Li X, Liu H, Manganelli S, Mangiatordi GF, Maran U, Marcou G, Martin T, Muratov E, Nguyen DT, Nicolotti O, Nikolov NG, Norinder U, Papa E, Petitjean M, Piir G, Pogodin P, Poroikov V, Qiao X, Richard AR, Roncaglioni A, Ruiz P, Rupakheti C, Sakkiah S, Sangion A, Schramm KW, Selvaraj C, Shah I, Sild S, Sun L, Taboureau O, Tang Y, Tetko IV, Todeschini R, Tong W, Trisciuzzi D, Tropsha A, Ven Den Driessche G, Varnek A, Wang Z, Wedebye EB, Williams A, Xie H, Zakharov AV, Zheng Z, Judson RS. 2020. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity. Environ Health Perspect 128(2):027002. https://doi.org/10.1289/EHP5580.
Nelms MD, Karmaus AL, Patlewicz G. 2020. An evaluation of the performance of selected (Q)SARs/expert systems for predicting acute oral toxicity. Comput Toxicol 16:100135. https://doi.org/10.1016/j.comtox.2020.100135.
Pamies D, Leist M, Coecke S, Bowe G, Allen DG, Gstraunthaler G, Bal-Price A, Pistollato F, de Vries RBM, Hogberg HT, Hartung T, Stacey G. 2021. Guidance document on good cell and tissue culture practice 2.0. ALTEX 39(1):30-70. https://doi.org/10.14573/altex.2111011.
Parish ST, Aschner M, Casey W, Corvaro M, Embry MR, Fitzpatrick S, Kidd D, Kleinstreuer NC, Lima BS, Settivari RS, Wolf DC, Yamazaki D, Boobis A. 2020. An evaluation framework for new approach methodologies (NAMs) for human health safety assessment. Reg Toxicol Pharmacol 112:104592. https://doi.org/10.1016/j.yrtph.2020.104592.
Patel V, Amin K, Allen D, Ukishima L, Wahab A, Grodi C, Behrsing H. 2021. Comparison of long-term human precision-cut lung slice culture methodology and response to challenge: an argument for standardization. Altern Lab Anim 49(5):209-222. https://doi.org/10.1177/02611929211061884.
Petersen EJ, Ceger P, Allen DG, Coyle J, Derk R, Garcia-Reyero N, Gordon J, Kleinstreuer N, Matheson J, McShan D, Nelson BC, Patri AK, Rice P, Rojanasakul L, Sasidharan A, Scarano L, Chang X. 2021. U.S. federal agency interests and key considerations for new approach methodologies for nanomaterials. ALTEX 39(2):183-206. https://doi.org/10.14573/altex.2105041.
Petersen E, Nguyen A, Brown J, Elliot J, Clippinger A, Gordon J, Kleinstreuer N, Roesslein M. 2021. Characteristics to consider when selecting a positive control material for an in vitro assay. ALTEX 38(2):365-376. https://doi.org/10.14573/altex.2102111.
Petersen E, Sharma M, Clippinger A, Gordon J, Katz A, Laux P, Leibrock LB, Luch A, Matheson J, Stucki AO, Tentschert J, Bierkandt FS. 2021. Use of cause-and-effect analysis to optimize the reliability of in vitro inhalation toxicity measurements using an air–liquid interface. Chem Res Toxicol 34(6):1370-1385. https://doi.org/10.1021/acs.chemrestox.1c00080.
Prior H, Baldrick P, Beken S, Booler S, Bower N, Brooker P, Brown P, Burlinson B, Burns-Naas LA, Casey W, Chapman M, Clarke D, de Haan L, Doehr O, Downes N, Flaherty M, Gellatly N, Moesgaard SG, Harris J, Holbrook M, Hui J, Jones D, Jones K, Kedar H, Mahl A, Manninen A, McGuire A, Mortimer-Cassen E, Peraza M, Pugsley MK, Richard J, Roberts R, Roosen W, Rothfuss A, Schoenmakers A, Sewell F, Weaver R, Weir L, Wolfreys A, Kimber I. 2020. Opportunities for use of one species for longer-term toxicology testing during drug development: A cross-industry evaluation. Reg Toxicol Pharmacol 113:104624. https://doi.org/10.1016/j.yrtph.2020.104624.
Richard AM, Huang R, Waidyanatha S, Shinn P, Collins BJ, Thillaindarajah I, Grulke CM, Williams AJ, Lougee RR, Judson RS, Houck KE, Shobair M, Yang C, Rathman JF, Yasgar A, Fitzpatrick SC, Simeonov A, Thomas RS, Crofton KM, Paules RS, Bucher JR, Austin CP, Kavlock RJ, Tice RR. 2021. The Tox21 compound library: collaborative chemistry advancing toxicology. Chem Res Toxicol 34(2):189-216. https://doi.org/10.1021/acs.chemrestox.0c00264.
Rooney JP, Choksi NY, Ceger P, Daniel AB, Truax J, Allen DG, Kleinstreuer NC. 2021. Analysis of variability in the rabbit skin irritation assay. Regul Toxicol Pharmacol 122:104920. https://doi.org/10.1016/j.yrtph.2021.104920.
Rovida C, Barton-Maclaren T, Benfenati E, Caloni F, Chandrasekera C, Chesne C, Cronin MTD, De Knecht J, Dietrich DR, Escher SE, Fitzpatrick S, Flannery B, Herzler M, Hougaard Bennekou S, Hubesch B, Kamp H, Kisitu J, Kleinstreuer N, Kovarich S, Leist M, Maertens A, Nugent K, Pallocca G, Pastor M, Patlewicz G, Pavan M, Presgrave O, Smirnova L, Schwarz M, Yamada T, Hartung T. 2020. Internationalization of read-across as a validation new approach method (NAM) for regulatory toxicology. ALTEX 37(4):579-606. https://doi.org/10.14573/altex.1912181.
Sedykh AY, Shah RR, Kleinstreuer NC, Auerbach SS, Gombar VK. 2021. Saagar - a new, extensible set of molecular substructures for QSAR/QSPR and read-across predictions. Chem Res Toxicol 34(2):634-640. https://doi.org/10.1021/acs.chemrestox.0c00464.
Smith MT, Guyton KZ, Kleinstreuer N, Borrel A, Cardenas A, Chiu WA, Felsher DW, Gibbons CF, Goodson WH, Houck KA, Kane AB, La Merrill MA, Lebrec H, Lowe L, McHale CM, Minocherhomji S, Rieswijk L, Sandy MS, Sone H, Wang A, Zhang L, Zeise L, Fielden M. 2020. The key characteristics of carcinogens: relationship to the hallmarks of cancer, relevant biomarkers, and assays to measure them. Cancer Epidemiol Biomarkers Prev 29:1887-1903. https://doi.org/10.1158/1055-9965.epi-19-1346.
Sullivan K, Allen DG, Clippinger AJ, Wilson DM, Edwards SW, Glover K, Mansouri K, Settivari R, Wijeyesakere S, Casey W. 2021. Mind the gaps: prioritizing activities to meet regulatory needs for acute systemic lethality. ALTEX 38(2):327-335. https://doi.org/10.14573/altex.2012121.
Tan YM, Barton HA, Boobis A, Brunner R, Clewell H, Cope R, Dawson J, Domoradzki J, Egeghy P, Gulati P, Ingle B, Kleinstreuer N, Lowe K, Lowit A, Mendez E, Miller D, Minucci J, Nguyen J, Paini A, Perron M, Phillips K, Qian H, Ramanarayanan T, Sewell F, Villanueva P, Wambaugh J, Embry M. 2021. Opportunities and challenges related to saturation of toxicokinetic processes: implications for risk assessment. Reg Toxicol Pharmacol 127:105070. https://doi.org/10.1016/j.yrtph.2021.105070.
Tandon A, Howard B, Ramaiahgari S, Maharana A, Ferguson S, Shah R, Merrick BA. 2021. Deep learning image analysis of high-throughput toxicology assay images. SLAS Discov 27(1):29-38. https://doi.org/10.1016/j.slasd.2021.10.014.
Wei Z, Liu X, Ooka M, Zhang L, Song MJ, Huang R, Kleinstreuer NC, Simeonov A, Xia M, Ferrer M. 2020. Two-dimensional cellular and three-dimensional bio-printed skin models to screen topical-use compounds for irritation potential. Front Bioeng Biotechnol 8:109. https://doi.org/10.1021/acs.chemrestox.9b00228.