2023
2022
Gao F, Zhang W, Baccarelli AA, Shen Y*. (2022). Predicting chemical ecotoxicity by learning latent space chemical representations. Environment International 163, 107224.
Shen Y, Zhao E, Zhang W*, Baccarelli AA, Gao F*. (2022). Predicting pesticide dissipation half-life intervals in plants with machine learning models. Journal of Hazardous Materials 436, 129177.
Miao L*,1, Tang Y1, Bonneau AR, Chan SH, Kojima ML, Pownall ME, Vejnar CE, Gao F, Krishnaswamy S, Hendry CE, Giraldez*. (2022). The landscape of pioneer factor activity reveals the mechanisms of chromatin reprogramming and genome activation. Molecular Cell 82.5: 986-1002.
Gao F, Shen Y, Sallach JB, Li H, Zhang W, Li Y*, Liu C*. (2022). Predicting crop root concentration factors of organic contaminants with machine learning models. Journal of Hazardous Materials 424,127437.
Oluwayiose OA, Wu H, Gao F, Baccarelli AA, Sofer T, Pilsner J*. (2022). Aclust2. 0: a revamped unsupervised R tool for Infinium methylation beadchips data analyses. Bioinformatics 38.20: 4820-4822.
Shen Y*, Laue HE, Shrubsole MJ, Wu H, Bloomquist TR, Larouche A, Zhao K, Gao F, Boivin A, Prada D, Hunting DJ. Gillet V, Takser L, Baccarelli AA. (2022). Associations of childhood and maternal metal exposure with children’s gut microbiomes in a Canadian gestation cohort. Environmental Health Perspectives 130 (1): 017007.
2021
Gao F, Shen Y, Sallach JB, Li H, Liu C*, Li Y*. (2021). Direct prediction of bioaccumulation of organic contaminants in plant roots from soils with machine learning models based on molecular structures. Environmental Science & Technology 55(24):16358-16368.
Shen Y, Hamm J, Gao F, Ryser ET, Zhang W*. (2021). Assessing consumer buy and pay preferences for labeled food products with statistical and machine learning methods. Journal of Food Protection 84.9: 1560-1566.
Mansouri K*, Karmaus AL, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, 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. Environmental Health Perspectives 129(4):47013.
2020
Perlmutter M, Gao F, Wolf G, Hirn M. (2020). Geometric wavelet scattering networks on compact Riemannian manifolds. Proceedings of The First Mathematical and Scientific Machine Learning Conference, Proceedings of Machine Learning Research volume 107, pages 570–604.
Perlmutter M, Gao F, Wolf G, Hirn M. (2020). Understanding graph neural networks with asymmetric geometric scattering transforms, arXiv:1911.06253
2019
Gao F, Wolf G, Hirn M. (2019). Geometric scattering for graph data analysis. Proceedings of the 36th International Conference on Machine Learning, Proceedings of Machine Learning Research volume 97, pages 2122–2131.
Gao F, Hirn M, Perlmutter M, Wolf G. (2019). Geometric wavelet scattering on graphs and manifolds. Proceedings of SPIE 11138, Wavelets and Sparsity XVIII, San Diego, California
2018
Tao H, Gao F, Gao H, Hu W*. (2018). Free energy change of crystallisation in single copolymers. Molecular Physics 3020-3026.
Zhang S, Liu Q*, Gao F, Ma R, Wu Z, Teppen BJ. (2018). Interfacial structure and interaction of kaolinite intercalated with N-methylformamide insight from molecular dynamics modeling. Applied Clay Science 158, 204-210
18. Zhang S, Liu Q*, Gao F, Teppen BJ. (2018). Molecular dynamics simulation of basal spacing, energetics, and structure evolution of a kaolinite-formamide intercalation complex and their interfacial interaction. The Journal of Physical Chemistry C 122 (6), 3341-3349.
19. Zhang S, Liu Q*, Cheng H, Gao F, Liu C, Teppen BJ. (2018). Mechanism responsible for intercalation of dimethyl sulfoxide in kaolinite: molecular dynamics simulations. Applied Clay Science 151, 46-53
2017
Zhang S, Liu Q*, Cheng H, Gao F, Liu C, Teppen BJ. (2017). Thermodynamic Mechanism and interfacial structure of kaolinite intercalation and surface modification by alkane surfactants with neutral and ionic head groups. The Journal of Physical Chemistry C 121 (16), 8824-8831.
Zhang S, Liu Q*, Gao F, Li X, Liu C, Li H, Boyd SA, Johnston CT, Teppen BJ*. (2017). Mechanism associated with kaolinite intercalation with urea: combination of infrared spectroscopy and molecular dynamics simulation studies. The Journal of Physical Chemistry C 121 (1), 402-409.