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Title: | Computational modeling, ligand-based drug design, drug-likeness and ADMET properties studies of series of chromen-2-ones analogues as anti-cancer agents |
Authors: | Abdullahi, Sagiru Hamza |
Participants: | Uzairu, Adamu Shallangwa, Gideon Adamu Uba, Sani Umar, Abdullahi Bello |
Issue Date: | 2022 |
Series/Report no.: | Bulletin of the National Research Centre, Volume 46 (2022), Article number: 177 |
Abstract: | Four QSAR models were developed from the training set data using genetic function algorithm (GFA) coupled with multi linear regression (MLR), and their expressions are presented below:Model 1 Y = 0.342327907 * apol + 0.002006877 * ATSC8m + 0.021947183 * ATSC7s − 2.110146447 * SM1_Dzm − 0.027702443 * SpAbs_Dzs + 0.122940438 * ZMIC4 − 9.882891756. Model 2 Y = 0.333966562 * apol + 0.001909583 * ATSC8m + 0.019049122 * ATSC7s − 2.079324191 * SM1_DzZ − 0.027112784 * SpAbs_Dzs + 0.119956742 * ZMIC4 − 9.456381109. Model 3 Y = 0.342932868 * apol + 0.002004154 * ATSC8m + 0.021734174 * ATSC7s − 2.067273713 * SM1_Dzm − 0.027821824 * SpAD_Dzs + 0.122642435 * ZMIC4 − 9.889860694. Model 4 Y = 0.334437304 * apol + 0.001906343 * ATSC8m + 0.018877487 * ATSC7s − 2.033875692 * SM1_DzZ − 0.027216796 * SpAD_Dzs + 0.119277728 * ZMIC4 − − 9.454115852. |
URI: | http://tailieuso.tlu.edu.vn/handle/DHTL/12863 |
Source: | https://link.springer.com/article/10.1186/s42269-022-00869-y |
ISSN: | 2522-8307 |
Appears in Collections: | Tài liệu mở |
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