| 许禄, 胡昌玉. 应用化学图论[M]. 北京: 科学出版社, 2000: 247-258 Xu L, Hu C Y. Graph Theory of Applied Chemistry[M]. Beijing: Science Press, 2000: 247 -258(in Chinese) |
| 冯长君. 物质构效学应用[M]. 徐州: 中国矿业大学出版社, 2017: 1-17 Feng C J. Quantitative Structure-efficacy Relationship and Its Applications[M]. Xuzhou: China University of Mining and Technology Press, 2017: 1 -17(in Chinese) |
| 廖立敏, 李建凤, 雷光东. 含氯苯酚类化合物结构表征与毒性预测[J]. 生态毒理学报, 2017, 12(6): 266-272 Liao L M, Li J F, Lei G D. Structural characterization and toxicity prediction of chlorinated phenolic compounds[J]. Asian Journal of Ecotoxicology, 2017, 12(6): 266-272(in Chinese) |
| 张文灏, 陈景文, 徐童, 等. 外源化合物在鱼体内生物半减期的QSAR模型[J]. 生态毒理学报, 2019, 14(3): 90-98 Zhang W H, Chen J W, Xu T, et al. QSAR models for predicting biological half-life of xenobiotics in fish[J]. Asian Journal of Ecotoxicology, 2019, 14(3): 90-98(in Chinese) |
| 王遵尧, 韩香云, 翟志才, 等. 多氯联苯系列化合物的热力学性质和稳定性的密度泛函理论研究[J]. 化学学报, 2005, 63(11): 964-972 Wang Z Y, Han X Y, Zhai Z C, et al. Study on the thermodynamic property and relative stability of a series of polychlorinated biphenyls by density functional theory[J]. Acta Chimica Sinica, 2005, 63(11): 964-972(in Chinese) |
| 石佳奇, 王甫洋, 孙莉, 等. 部分苯酚衍生物生物降解性的2D和3D-QSBR研究[J]. 科学通报, 2010, 55(16): 1600-1607 Shi J Q, Wang F Y, Sun L, et al. 2D and 3D quantitative structure-biodegradability relationship study of phenol derivatives[J]. Chinese Science Bulletin, 2010, 55(16): 1600-1607(in Chinese) |
| 王遵尧, 韩香云, 王连生, 等. 二噁英、有机磷和直链脂肪醇的毒性与分子体积的关系[J]. 科学通报, 2004, 49(12): 1134-1138 Wang Z Y, Han X Y, Wang L S, et al. Relationship between the toxicity of dioxins, organophosphates and straight chain fatty alcohols and molecular volume[J]. Chinese Science Bulletin, 2004, 49(12): 1134-1138(in Chinese) |
| 冯长君. 吡啶酰氨磺酰胺衍生物杀菌活性的理论研究[J]. 徐州工程学院学报(自然科学版), 2017, 32(3): 23-27 Feng C J. Theoretical study on the antifungal activity of pyridine carboxamide cyclohexyl sulfonamides to Rhizoctonia cerealis[J]. Journal of Xuzhou Institute of Technology (Natural Sciences Edition), 2017, 32(3): 23-27(in Chinese) |
| 冯长君. 取代三唑-噻二唑类化合物生物活性的QSAR研究[J]. 徐州工程学院学报(自然科学版), 2018, 33(4): 39-44 Feng C J. QSAR study on the biological activity of substituted triazole-thiadiazoles derivatives[J]. Journal of Xuzhou Institute of Technology (Natural Sciences Edition), 2018, 33(4): 39-44(in Chinese) |
| Li J F, Liao L M. Structural characterization and retention time simulation of allergenic fragrances[J]. Chinese Journal of Structural Chemistry, 2020, 39(10): 1753-1762 |
| 郑玉婷, 乔显亮, 于洋, 等. 有机化学品生物富集因子定量结构-活性关系模型[J]. 生态毒理学报, 2019, 14(2): 214-221 Zheng Y T, Qiao X L, Yu Y, et al. Quantitative structure-activity relationship model for bioconcentration factors of organic chemicals[J]. Asian Journal of Ecotoxicology, 2019, 14(2): 214-221(in Chinese) |
| Feng H, Cao J P, Feng C J. CoMFA study on anti-proliferative activity of fluoroquinolone amide derivatives[J]. Chinese Journal of Structural Chemistry, 2022, 41(3): 2203241-2203247 |
| 唐自强, 冯长君. 取代苯酚类化合物抑藻活性的CoMFA模型[J]. 生态毒理学报, 2019, 14(4): 192-196 Tang Z Q, Feng C J. CoMFA model for inhibitory activity of chlorinated phenolic compounds to Dunaliella salina[J]. Asian Journal of Ecotoxicology, 2019, 14(4): 192-196(in Chinese) |
| 唐自强, 冯长君. 硝基芳烃对梨形四膜虫急性毒性的CoMFA模型[J]. 生态毒理学报, 2020, 15(5): 327-332 Tang Z Q, Feng C J. CoMFA model for acute toxicity of nitroaromatic compounds to Tetrahymena pyriformis[J]. Asian Journal of Ecotoxicology, 2020, 15(5): 327-332(in Chinese) |
| 冯长君. 苯磺酰脲类化合物除草活性的CoFMA模型[J]. 徐州工程学院学报(自然科学版), 2019, 34(2): 21-25 Feng C J. CoFMA model of herbicidal activity of phenyl-sulfonylurea derivatives[J]. Journal of Xuzhou Institute of Technology (Natural Sciences Edition), 2019, 34(2): 21-25(in Chinese) |
| 冯长君. 硝基苯衍生物对发光菌抑制毒性的CoMFA模型[J]. 徐州工程学院学报(自然科学版), 2020, 35(1): 28-31 Feng C J. CoMFA model of inhibitory activity for nitrobenzene derivatives to photobacteria[J]. Journal of Xuzhou Institute of Technology (Natural Sciences Edition), 2020, 35(1): 28-31(in Chinese) |
| 邹壬萱, 段文贵, 林桂汕, 等. 含偕二甲基环丙烷的1,3,4-噻二唑-硫脲化合物的合成、抑菌活性及3D-QSAR研究[J]. 林产化学与工业, 2022, 42(5): 45-55 Zou R X, Duan W G, Lin G S, et al. Synthesis, antifungal activity and 3D-QSAR study of novel 1,3,4-thiadiazole-thiourea compounds containing gem-dimethylcyclopropane ring[J]. Chemistry and Industry of Forest Products, 2022, 42(5): 45-55(in Chinese) |
| 冯长君. 基于CoMFA研究氟喹诺酮C-3噻唑酮衍生物抗胰腺癌活性[J]. 徐州工程学院学报(自然科学版), 2021, 36(3): 8-12 Feng C J. Study on anti-pancreatic cancer activity of fluoroquinolone C-3 thiazolonederivatives based on CoMFA[J]. Journal of Xuzhou Institute of Technology (Natural Sciences Edition), 2021, 36(3): 8-12(in Chinese) |
| Fu L, Zhao L N, Guo H M, et al. Discovery of 4-thiazol-N-(pyridin-2-yl) pyrimidin-2-amine as novel cyclin-dependent kinases 4 and 6 dual inhibitors via 3D-QSAR and molecular simulation[J]. Chinese Journal of Structural Chemistry, 2022, 41(3): 2203108-2203124 |
| Zhu L L, Qin Z L, Feng C J. CoMFA model and molecular design of anti-excitatory activity for benzodiazepinooxazole derivatives against mice[J]. Chinese Journal of Structural Chemistry, 2021, 40(8): 1075-1081 |
| 冯惠, 于洪锋, 冯长君. 氟喹诺酮三唑酮衍生物抗增殖活性的CoMFA模型[J]. 化学通报, 2021, 84(3): 284-287 Feng H, Yu H F, Feng C J. CoMFA model of anti-proliferative activities of fluoroquinolone triazolone derivatives against human leukemia HL60 cells[J]. Chemistry, 2021, 84(3): 284-287(in Chinese) |
| 冯长君. 喹唑啉衍生物抗胃癌活性的CoMFA模型[J]. 徐州工程学院学报(自然科学版), 2022, 37(1): 31-35 Feng C J. CoMFA model of anti-gastric cancer activity of quinazoline derivatives[J]. Journal of Xuzhou Institute of Technology (Natural Sciences Edition), 2022, 37(1): 31-35(in Chinese) |
| 杭烨超, 李方实. 苯砜基羧酸酯类化合物急性毒性的QSAR研究[J]. 南京工业大学学报, 2006, 28(4): 104-107 Hang Y C, Li F S. QSAR study on acute toxicities of phenylsulfonyl carboxylate compounds[J]. Journal of Nanjing Tech University (Natural Science Edition), 2006, 28(4): 104-107(in Chinese) |
| Clark M, Cramer R D Ⅲ, Van Opdenbosch N. Validation of the general purpose tripos 5.2 force field[J]. Journal of Computational Chemistry, 1989, 10(8): 982-1012 |
| Gasteiger J, Marsili M. Iterative partial equalization of orbital electronegativity: A rapid access to atomic charges[J]. Tetrahedron, 1980, 36(22): 3219-3228 |
| 唐自强, 冯惠, 幺冰, 等. 多氯联苯生物降解速率常数的电性拓扑模型[J]. 生态毒理学报, 2022, 17(5): 319-324 Tang Z Q, Feng H, Yao B, et al. Electrotopological model of biodegradation rate constant for polychlorinated biphenyls[J]. Asian Journal of Ecotoxicology, 2022, 17(5): 319-324(in Chinese) |
| 冯长君. 多溴联苯醚生物富集因子的CoMFA模型[J]. 徐州工程学院学报(自然科学版), 2023, 38(4): 1-4, 39 Feng C J. CoMFA model of bioconcentration factors of polybrominaed diphenyl ethers[J]. Journal of Xuzhou Institute of Technology (Natural Sciences Edition), 2023, 38(4): 1-4, 39(in Chinese) |
| 张骥, 申鹏, 陆涛, 等. 黄酮类化合物抑制MMP-9的定量结构-活性关系和结构修饰的理论研究[J]. 化学学报, 2011, 69(4): 383-392 |
| Golbraikh A, Tropsha A. Beware of Q2![J]. Journal of Molecular Graphics & Modelling, 2002, 20(4): 269-276 |