研究文章
预测模型的最大推荐抗逆转录病毒药物的治疗剂量
表1
临床MRTD数据由23个训练集化合物(斜体)和8个测试组化合物(粗体)。平均值和标准偏差统计显示指示每个分子的分布和集中趋势属性描述符。
|
| 药物 |
MRTD(毫克/公斤/天) |
OxidHL(天) |
P (BD) (%) |
logBioHL(天) |
AlogP (:) |
ASol (g / L) |
兆瓦(Da) |
|
| 无环鸟苷 |
13.30 |
0.135 |
0.5475 |
−2.2874 |
−1.45 |
8.65 |
225.21 |
| Ancitabine |
20.00 |
0.139 |
0.2005 |
−2.418 |
−2.62 |
3.20 |
225.21 |
| Delaviridine |
6.67 |
0.034 |
0.0014 |
−2.3428 |
2.77 |
0.086 |
456.57 |
| 地达诺新 |
6.67 |
0.140 |
0.5085 |
−1.9956 |
−1.26 |
6.43 |
236.23 |
| Famciclovir |
25.00 |
0.051 |
0.991 |
−3.6235 |
0.13 |
1.32 |
321.38 |
| 磷甲酸 |
120.00 |
13.37 |
0.772 |
−2.4547 |
−1.63 |
16.76 |
126.01 |
| Indinavir |
16.70 |
0.038 |
0.0501 |
−4.6478 |
3.26 |
0.048 |
613.81 |
| Lofexidine |
0.040 |
0.123 |
0.0792 |
0.9861 |
3.31 |
0.15 |
259.14 |
| 拉米夫定 |
5.00 |
0.06 |
0.0719 |
−3.9261 |
−1.29 |
2.76 |
229.26 |
| 金刚烷乙胺 |
3.33 |
0.171 |
0.4624 |
0.4539 |
3.28 |
0.009 |
179.31 |
| 利巴韦林 |
200.00 |
0.264 |
0.8963 |
−2.8715 |
−1.92 |
33.17 |
244.21 |
| Valacyclovir |
50.00 |
0.044 |
0.944 |
−3.3309 |
−1.03 |
1.49 |
326.41 |
| Zalcitibine |
0.0375 |
0.096 |
0.0909 |
−3.5083 |
−1.29 |
7.05 |
211.22 |
| 扎那米韦 |
0.333 |
0.038 |
0.8247 |
−4.4141 |
−2.29 |
1.49 |
332.32 |
| 齐多夫定 |
10.00 |
0.139 |
0.0432 |
−3.0445 |
−0.1 |
16.35 |
267.28 |
| Saquinavir |
33.330 |
0.052 |
0.9780 |
−3.9394 |
4.04 |
0.002 |
670.84 |
| 内 |
53.00 |
0.094 |
0.0001 |
−1.8175 |
1.76 |
0.067 |
547.66 |
| Tipranavir |
6.670 |
0.043 |
0.0000 |
−0.0265 |
5.71 |
0.0002 |
602.66 |
| 例如 |
20.00 |
0.105 |
0.9488 |
−4.61 |
4.24 |
0.0012 |
720.94 |
| Maraviroc |
20.00 |
0.129 |
0.0700 |
−0.2247 |
4.3 |
0.0106 |
513.66 |
| 替诺福韦 |
10.00 |
0.048 |
0.0016 |
−3.0098 |
−1.51 |
1.87 |
287.21 |
| 奈非那韦 |
25.00 |
0.055 |
0.6868 |
−1.6709 |
6.00 |
0.0002 |
567.78 |
| 司他夫定 |
1.333 |
0.088 |
0.0768 |
−3.082 |
−0.8 |
40.51 |
224.21 |
|
| n |
23.00 |
23.00 |
23.00 |
23.00 |
23.00 |
23.00 |
23.00 |
| 的意思是 |
28.54 |
0.672 |
0.402 |
−2.5133 |
0.939 |
6.15 |
362.72 |
| SD |
45.53 |
2.769 |
0.394 |
1.5738 |
2.809 |
10.90 |
178.20 |
| CV % |
159.52 |
412.00 |
97.00 |
−62.620 |
299.04 |
177.25 |
48.86 |
|
| Abacavir |
10.00 |
0.040 |
0.0229 |
−2.1757 |
0.61 |
1.21 |
286.38 |
| Emtricitabine |
4.00 |
0.08 |
0.0566 |
−3.7784 |
−0.8 |
2.00 |
247.28 |
| Raltegravir |
30.07 |
0.094 |
0.0006 |
−2.6157 |
1.7 |
0.095 |
444.47 |
| 奈韦拉平 |
3.000 |
0.167 |
0.0473 |
−3.7336 |
1.75 |
0.10 |
266.33 |
| 依法韦伦 |
10.10 |
0.254 |
0.0001 |
0.1111 |
3.88 |
0.008 |
315.67 |
| Fosamprenavir |
46.70 |
0.067 |
0.0007 |
−2.4135 |
0.84 |
0.068 |
585.68 |
| Atazanavir |
5.35 |
0.109 |
0.0202 |
−3.4392 |
4.37 |
0.003 |
704.96 |
| Lopiravir |
53.33 |
0.103 |
0.9933 |
−3.3281 |
4.07 |
0.002 |
614.86 |
|
| n |
8.00 |
8.00 |
8.00 |
8.00 |
8.00 |
8.00 |
8.00 |
| 的意思是 |
20.32 |
0.114 |
0.143 |
−2.672 |
2.05 |
0.436 |
433.20 |
| SD |
20.29 |
0.067 |
0.344 |
1.278 |
1.878 |
0.753 |
180.48 |
| CV % |
99.86 |
58.99 |
241.300 |
−47.830 |
91.50 |
173.000 |
41.66 |
|
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