The role of chemoinformatics in the design of a comprehensive drug ...
The role of chemoinformatics in the design of a comprehensive drug ...
The role of chemoinformatics in the design of a comprehensive drug ...
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Monitor<strong>in</strong>g <strong>of</strong> Compound Collections - Lip<strong>in</strong>ski Pr<strong>of</strong>iles<br />
12.0%<br />
AlogP Distribution<br />
40.0%<br />
H-Bond Donors<br />
35.0%<br />
10.0%<br />
30.0%<br />
% <strong>of</strong> samples<br />
8.0%<br />
6.0%<br />
4.0%<br />
CHC [%]<br />
SOLAR [%]<br />
CMedC [%]<br />
% <strong>of</strong> samples<br />
25.0%<br />
20.0%<br />
15.0%<br />
CHC [%]<br />
SOLAR [%]<br />
CMedC [%]<br />
10.0%<br />
2.0%<br />
5.0%<br />
0.0%<br />
-5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10<br />
AlogP<br />
0.0%<br />
0 1 2 3 4 5 6 7 8 9 10<br />
Count<br />
10.0%<br />
Molecular Weight Distribution<br />
25.0%<br />
H-Bond Acceptors<br />
9.0%<br />
8.0%<br />
20.0%<br />
% <strong>of</strong> samples<br />
7.0%<br />
6.0%<br />
5.0%<br />
4.0%<br />
CHC [%]<br />
SOLAR [%]<br />
CMedC [%]<br />
% <strong>of</strong> samples<br />
15.0%<br />
10.0%<br />
CHC [%]<br />
SOLAR [%]<br />
CMedC [%]<br />
3.0%<br />
2.0%<br />
1.0%<br />
5.0%<br />
0.0%<br />
0 100 200 300 400 500 600 700 800 900 1000<br />
Molecular Weight<br />
| Obernai| 20.06.10 | Edgar Jacoby<br />
0.0%<br />
0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15<br />
Count
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