-
Notifications
You must be signed in to change notification settings - Fork 15
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Merge pull request #60 from ncats/development
Development
- Loading branch information
Showing
36 changed files
with
666 additions
and
209 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Binary file not shown.
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -76,4 +76,4 @@ h1 { | |
.profile-info-container { | ||
padding-left: 10px; | ||
} | ||
} | ||
} |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,197 @@ | ||
<div class="container"> | ||
<div class="inner-container"> | ||
<h1> | ||
Data Availability | ||
</h1> | ||
|
||
<p style="text-align: justify;"> | ||
Along with the predictions, we provide open access to the data underlying the prediction models. The experimental data associated with | ||
all compounds that could be made public have been deposited into the PubChem database as bioassay records that are open for public access. | ||
Links to the bioassay records and downloadable data files are provided below. Further details on the datasets are provided | ||
in individual model pages. | ||
</p> | ||
|
||
<div class="table-container"> | ||
<div class="table-responsive-container"> | ||
<table class="mat-table more-padding"> | ||
<thead> | ||
<tr class="mat-header-row"> | ||
<th class="mat-header-cell center"> | ||
ADME Endpoint | ||
</th> | ||
<th class="mat-header-cell center"> | ||
Training Data<sup>a</sup> | ||
</th> | ||
<th class="mat-header-cell center"> | ||
Public Data<sup>b</sup> | ||
</th> | ||
<th class="mat-header-cell center"> | ||
PubChem Bioassay | ||
</th> | ||
<th class="mat-header-cell center"> | ||
Data File | ||
</th> | ||
</tr> | ||
</thead> | ||
<tbody> | ||
<tr class="mat-row"> | ||
<td class="mat-cell center"> | ||
RLM Stability | ||
</td> | ||
<td class="mat-cell center"> | ||
22,016 | ||
</td> | ||
<td class="mat-cell center"> | ||
2,525 | ||
</td> | ||
<td class="mat-cell center"> | ||
<a | ||
href="https://pubchem.ncbi.nlm.nih.gov/bioassay/1508591" target="_blank" admeTrackLinkEvent evLabel="rlm pubchem">AID | ||
1508591</a> | ||
</td> | ||
<td class="mat-cell center"> | ||
<a [href]="rlm_DownloadHref" target="_blank"><img class="img-icon" [src]="downloadIcon"></a> | ||
</td> | ||
</tr> | ||
<tr class="mat-row"> | ||
<td class="mat-cell center"> | ||
PAMPA pH 5 | ||
</td> | ||
<td class="mat-cell center"> | ||
5,227 | ||
</td> | ||
<td class="mat-cell center"> | ||
486 | ||
</td> | ||
<td class="mat-cell center"> | ||
<a | ||
href="https://pubchem.ncbi.nlm.nih.gov/bioassay/1645871" target="_blank" admeTrackLinkEvent evLabel="pampa 50 pubchem">AID | ||
1645871</a> | ||
</td> | ||
<td class="mat-cell center"> | ||
<a [href]="pampa50_DownloadHref" target="_blank"><img class="img-icon" [src]="downloadIcon"></a> | ||
</td> | ||
</tr> | ||
<tr class="mat-row"> | ||
<td class="mat-cell center"> | ||
PAMPA pH 7.4 | ||
</td> | ||
<td class="mat-cell center"> | ||
16,624 | ||
</td> | ||
<td class="mat-cell center"> | ||
2,528 | ||
</td> | ||
<td class="mat-cell center"> | ||
<a | ||
href="https://pubchem.ncbi.nlm.nih.gov/bioassay/1508612" target="_blank" admeTrackLinkEvent evLabel="pampa 74 pubchem">AID | ||
1508612</a> | ||
</td> | ||
<td class="mat-cell center"> | ||
<a [href]="pampa74_DownloadHref" target="_blank"><img class="img-icon" [src]="downloadIcon"></a> | ||
</td> | ||
</tr> | ||
<tr class="mat-row"> | ||
<td class="mat-cell center"> | ||
Solubility | ||
</td> | ||
<td class="mat-cell center"> | ||
22,209 | ||
</td> | ||
<td class="mat-cell center"> | ||
2,529 | ||
</td> | ||
<td class="mat-cell center"> | ||
<a | ||
href="https://pubchem.ncbi.nlm.nih.gov/bioassay/1645848" target="_blank" admeTrackLinkEvent evLabel="sol pubchem">AID | ||
1645848</a> | ||
</td> | ||
<td class="mat-cell center"> | ||
<a [href]="sol_DownloadHref" target="_blank"><img class="img-icon" [src]="downloadIcon"></a> | ||
</td> | ||
</tr> | ||
<tr class="mat-row"> | ||
<td class="mat-cell center"> | ||
HLC Stability | ||
</td> | ||
<td class="mat-cell center"> | ||
1,214 | ||
</td> | ||
<td class="mat-cell center"> | ||
189 | ||
</td> | ||
<td class="mat-cell center"> | ||
<a | ||
href="https://pubchem.ncbi.nlm.nih.gov/bioassay/1508603" target="_blank" admeTrackLinkEvent evLabel="hlc pubchem">AID | ||
1508603</a> | ||
</td> | ||
<td class="mat-cell center"> | ||
<a [href]="hlc_DownloadHref" target="_blank"><img class="img-icon" [src]="downloadIcon"></a> | ||
</td> | ||
</tr> | ||
<tr class="mat-row"> | ||
<td class="mat-cell center"> | ||
CYP2D6 | ||
</td> | ||
<td class="mat-cell center"> | ||
5,094 | ||
</td> | ||
<td class="mat-cell center"> | ||
5,094 | ||
</td> | ||
<td class="mat-cell center"> | ||
<a | ||
href="https://pubchem.ncbi.nlm.nih.gov/bioassay/1645840" target="_blank" admeTrackLinkEvent evLabel="cyp2d6 pubchem">AID | ||
1645840</a> | ||
</td> | ||
<td class="mat-cell center"> | ||
<a [href]="cyp2d6_DownloadHref" target="_blank"><img class="img-icon" [src]="downloadIcon"></a> | ||
</td> | ||
</tr> | ||
<tr class="mat-row"> | ||
<td class="mat-cell center"> | ||
CYP3A4 | ||
</td> | ||
<td class="mat-cell center"> | ||
5,094 | ||
</td> | ||
<td class="mat-cell center"> | ||
5,094 | ||
</td> | ||
<td class="mat-cell center"> | ||
<a | ||
href="https://pubchem.ncbi.nlm.nih.gov/bioassay/1645841" target="_blank" admeTrackLinkEvent evLabel="cyp3a4 pubchem">AID | ||
1645841</a> | ||
</td> | ||
<td class="mat-cell center"> | ||
<a [href]="cyp3a4_DownloadHref" target="_blank"><img class="img-icon" [src]="downloadIcon"></a><br> | ||
</td> | ||
</tr> | ||
<tr class="mat-row"> | ||
<td class="mat-cell center"> | ||
CYP2C9 | ||
</td> | ||
<td class="mat-cell center"> | ||
5,094 | ||
</td> | ||
<td class="mat-cell center"> | ||
5,094 | ||
</td> | ||
<td class="mat-cell center"> | ||
<a | ||
href="https://pubchem.ncbi.nlm.nih.gov/bioassay/1645842" target="_blank" admeTrackLinkEvent evLabel="cyp2c9 pubchem">AID | ||
1645842</a> | ||
</td> | ||
<td class="mat-cell center"> | ||
<a [href]="cyp2c9_DownloadHref" target="_blank"><img class="img-icon" [src]="downloadIcon"></a> | ||
</td> | ||
</tr> | ||
</tbody> | ||
</table> | ||
<p class="footer-line"><sup>a</sup> <i>Total number of compounds present in the training dataset.</i><br> | ||
<sup>b</sup> <i>Total number of compounds present in the publicly available dataset.</i> | ||
</p> | ||
</div> | ||
</div> | ||
</div> | ||
</div> |
Oops, something went wrong.