Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT X Li, D Fourches Journal of Cheminformatics 12, 1-15, 2020 | 104 | 2020 |
CATMoS: collaborative acute toxicity modeling suite K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, ... Environmental health perspectives 129 (4), 047013, 2021 | 79 | 2021 |
SMILES pair encoding: a data-driven substructure tokenization algorithm for deep learning X Li, D Fourches Journal of chemical information and modeling 61 (4), 1560-1569, 2021 | 68 | 2021 |
Mimosa: Multi-constraint molecule sampling for molecule optimization T Fu, C Xiao, X Li, LM Glass, J Sun Proceedings of the AAAI Conference on Artificial Intelligence 35 (1), 125-133, 2021 | 62 | 2021 |
In situ-generated iodonium ylides as safe carbene precursors for the chemoselective intramolecular Buchner reaction S Mo, X Li, J Xu The Journal of Organic Chemistry 79 (19), 9186-9195, 2014 | 35 | 2014 |
Determination on temperature gradient of different polar reactants in reaction mixture under microwave irradiation with molecular probe X Li, J Xu Tetrahedron 72 (35), 5515-5520, 2016 | 23 | 2016 |
Effects of the Microwave Power on the Microwave-assisted Esterification X Li, J Xu Current Microwave Chemistry 4 (2), 158-162, 2017 | 21 | 2017 |
Hierarchical quantitative structure–activity relationship modeling approach for integrating binary, multiclass, and regression models of acute oral systemic toxicity X Li, NC Kleinstreuer, D Fourches Chemical research in toxicology 33 (2), 353-366, 2020 | 19 | 2020 |
The VKORC1 ER-luminal loop mutation (Leu76Pro) leads to a significant resistance to warfarin in black rats (Rattus rattus) K Takeda, Y Ikenaka, D Fourches, KD Tanaka, SMM Nakayama, D Triki, ... Pesticide biochemistry and physiology 173, 104774, 2021 | 5 | 2021 |
Identification of microwave selective heating effort in an intermolecular reaction with Hammett linear relationship as a molecular level probe X Li, J Xu Current Microwave Chemistry 4 (4), 339-346, 2017 | 5 | 2017 |