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rujinlong committed Dec 26, 2022
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7 changes: 7 additions & 0 deletions app/rsconnect/shinyapps.io/rujinlong/DeepsmirUD.dcf
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Expand Up @@ -5,9 +5,16 @@ account: rujinlong
server: shinyapps.io
hostUrl: https://api.shinyapps.io/v1
appId: 6295477
<<<<<<< HEAD
bundleId: 6673681
url: https://rujinlong.shinyapps.io/DeepsmirUD/
when: 1672056215.04623
lastSyncTime: 1672056215.04629
=======
bundleId: 6674658
url: https://rujinlong.shinyapps.io/DeepsmirUD/
when: 1672091090.55488
lastSyncTime: 1672091090.5549
>>>>>>> dev
asMultiple: FALSE
asStatic: FALSE
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36 changes: 23 additions & 13 deletions app/www/tutorial1.Rmd
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Expand Up @@ -11,15 +11,15 @@ Through the "Novel regulatory effect" tab, users are directed to access the info

### Step 1. Database selection

It provides a series of databases, which are made by using different p-values to filter data of the Psmir database. The databases are 0.05_op, 0.05_non_op, appv_0.01_op_up, appv_0.01_op_down, appv_0.01_non_op_up, appv_0.01_non_op_down, unappv_0.01_op_up, unappv_0.01_op_down, unappv_0.01_non_op_up, and unappv_0.01_non_op_down. appv is for FDA-approved. unappv is for FDA-unapproved. op is for overlapped, representing a miRNA or a small molecule in these small molecule-miRNA pairs are overlapped with miRNAs or small molecules in the DeepsmirUD training dataset. After the 0.05_non_op database is selected, tables and plots are loaded as in **Figure 1**.
It provides a series of databases, which are made by using different p-values to filter data of the Psmir database. The databases are 0.05_op, 0.05_non_op, appv_0.01_op_up, appv_0.01_op_down, appv_0.01_non_op_up, appv_0.01_non_op_down, unappv_0.01_op_up, unappv_0.01_op_down, unappv_0.01_non_op_up, and unappv_0.01_non_op_down. appv is for FDA-approved. unappv is for FDA-unapproved. op is for overlapped, representing a miRNA or a small molecule in these small molecule-miRNA pairs are overlapped with miRNAs or small molecules in the DeepsmirUD training dataset. The loading page of the Psmir databases is shown in **Figure 1**. After the '0.05_non_op' database is selected, tables and plots are loaded as in **Figures 2-4**.

<center>![Figure 1. Databases of predicted regulatory effects of the Psmir pairs](nrFigure1.png){width=95%}</center>

</br>

<center>![Figure 2. Novel regulatory effect data](nrFigure2.png){width=95%}</center>

</br>
**Figure 2** shows the tables and plots after page loading. The tables provide small molecule-miRNA pair information, their predicted probabilities of regulatory effects and labels of down- or up-regulation. For plots, we provide the matrix of correlation between models, histogram, distribution, and heatmap (**Figure 3** and **Figure 4**). The plots interactively change with data in the tables.

<center>![Figure 3. Correlation matrix, histogram, and probability distribution plots](nrFigure3.png){width=95%}</center>

Expand All @@ -33,43 +33,53 @@ It provides a series of databases, which are made by using different p-values to

#### (1). by small molecules

In a certain database, all small molecules are listed at dropdown ‘Filter by small molecule (compound)’ (**Figure 5**).
In a certain database, all small molecules are listed at dropdown 'Filter by small molecule (compound)' (**Figure 5**). If you do not know which small molecules should be of your interest, you can follow what is shown in **Figure 5** for filtering small molecule-miRNA pairs. If you have an idea of which small molecule should be used, you can filter small molecule-miRNA pairs according to **Figure 6**.

<center>![Figure 5. Select small molecule-miRNA pairs by applying a small molecule filter 'maprotiline' and 'sanguinarine'](nrFigure5.png){width=95%}</center>

</br>

<center>![Figure 5. Select small molecule-miRNA pairs by applying a small molecule filter ‘vorinostat’](nrFigure5.png){width=95%}</center>
<center>![Figure 6. Select small molecule-miRNA pairs by typing in a small molecule 'vorinostat'.](nrFigure6.png){width=95%}</center>

</br>

If we drag the table scroll bar rightmost, it shows that miR-106b is upregulated by vorinostat and miR-1 is downregulated by vorinostat (**Figure 6**).
If we drag the table scroll bar rightmost, it shows that miR-433 is upregulated by vorinostat and miR-448 is downregulated by vorinostat (**Figure 7**).

<center>![Figure 6. Regulation types of vorinostat-miRNA pairs](nrFigure6.png){width=95%}</center>
<center>![Figure 7. Regulation types of vorinostat-miRNA pairs.](nrFigure7.png){width=95%}</center>

</br>

#### (2). by miRNAs

Similarly, we can select one of the miRNAs in the selected database to filter small molecule-miRNA pairs. There are 259 pairs left after a miR-7 filter is applied (**Figure 7** and **Figure 8**).
Similarly, we can select one of the miRNAs in the selected database to filter small molecule-miRNA pairs. There are 206 pairs left after a miR-380 filter is applied (**Figure 8**). Similar to filtering pairs by small molecules, if you have an idea of which miRNA should be used in your case, you can type in a miRNA, for example, miR-433 (**Figure 9**).

<center>![Figure 7. Select small molecule-miRNA pairs by applying a miRNA filter.](nrFigure7.png){width=95%}</center>
<center>![Figure 8. Select small molecule-miRNA pairs by applying a small molecule filter 'miR-380'.](nrFigure8.png){width=95%}</center>

</br>

<center>![Figure 8. Regulation types of small molecule-miR-7 pairs.](nrFigure8.png){width=95%}</center>
<center>![Figure 9. Select small molecule-miRNA pairs by typing in a miRNA 'miR-433'.](nrFigure9.png){width=95%}</center>

</br>

<center>![Figure 10. Figure 10. Regulation types of small molecule-miR-7 pairs.](nrFigure10.png){width=95%}</center>

</br>

If we drag the table scroll bar rightmost, we can see the predicted down-regulation and up-regulation types of small molecule-miR-448 pairs (**Figure 10**).

#### (3). by multiple conditions

Deepsmir-Web also allows users to screen the regulation pairs with multiple conditions (**Figure 9**).
Deepsmir-Web also allows users to screen the regulation pairs with multiple conditions, for example, miR-433, FDA-approved, and P-value (**Figure 11**).

<center>![Figure 9. Small molecule-miRNA pairs filtered by multiple conditions.](nrFigure9.png){width=95%}</center>
<center>![Figure 11. Small molecule-miRNA pairs filtered by multiple conditions.](nrFigure11.png){width=95%}</center>

</br>

## 2. Curated small molecule-miRNA pairs from Verse

Similarly, for getting the regulatory effects of the Verse pairs users can apply as the same precedures as in Psmir.
Similarly, for getting the regulatory effects of the Verse pairs users can apply as the same procedures as in Psmir (**Figure 12**).

<center>![Figure 10. Regulatory effects of small molecule pairs curated from Verse.](nrFigure10.png){width=95%}</center>
<center>![Figure 12. Regulatory effects of small molecule pairs curated from Verse.](nrFigure12.png){width=95%}</center>

</br>

Expand Down
107 changes: 75 additions & 32 deletions app/www/tutorial1.md
Original file line number Diff line number Diff line change
Expand Up @@ -17,8 +17,9 @@ unappv_0.01_op_down, unappv_0.01_non_op_up, and unappv_0.01_non_op_down.
appv is for FDA-approved. unappv is for FDA-unapproved. op is for
overlapped, representing a miRNA or a small molecule in these small
molecule-miRNA pairs are overlapped with miRNAs or small molecules in
the DeepsmirUD training dataset. After the ‘0.05_non_op’ database is
selected, tables and plots are loaded as in **Figure 1**.
the DeepsmirUD training dataset. The loading page of the Psmir databases
is shown in **Figure 1**. After the ‘0.05_non_op’ database is selected,
tables and plots are loaded as in **Figures 2-4**.

<center>

Expand All @@ -29,7 +30,6 @@ alt="Figure 1. Databases of predicted regulatory effects of the Psmir pairs" />
regulatory effects of the Psmir pairs</figcaption>
</figure>

</center>
</center>

</br>
Expand All @@ -45,7 +45,12 @@ data</figcaption>

</center>

</br>
**Figure 2** shows the tables and plots after page loading. The tables
provide small molecule-miRNA pair information, their predicted
probabilities of regulatory effects and labels of down- or
up-regulation. For plots, we provide the matrix of correlation between
models, histogram, distribution, and heatmap (**Figure 3** and **Figure
4**). The plots interactively change with data in the tables.

<center>

Expand Down Expand Up @@ -77,32 +82,50 @@ alt="Figure 4. Heatmap plot" />
#### (1). by small molecules

In a certain database, all small molecules are listed at dropdown
‘Filter by small molecule (compound)’ (**Figure 5**).
‘Filter by small molecule (compound)’ (**Figure 5**). If you do not know
which small molecules should be of your interest, you can follow what is
shown in **Figure 5** for filtering small molecule-miRNA pairs. If you
have an idea of which small molecule should be used, you can filter
small molecule-miRNA pairs according to **Figure 6**.

<center>

<figure>
<img src="nrFigure5.png" style="width:95.0%"
alt="Figure 5. Select small molecule-miRNA pairs by applying a small molecule filter ‘vorinostat’" />
alt="Figure 5. Select small molecule-miRNA pairs by applying a small molecule filter ‘maprotiline’ and ‘sanguinarine’" />
<figcaption aria-hidden="true">Figure 5. Select small molecule-miRNA
pairs by applying a small molecule filter ‘vorinostat’</figcaption>
pairs by applying a small molecule filter ‘maprotiline’ and
‘sanguinarine’</figcaption>
</figure>

</center>

</br>

If we drag the table scroll bar rightmost, it shows that miR-106b is
upregulated by vorinostat and miR-1 is downregulated by vorinostat
(**Figure 6**).

<center>

<figure>
<img src="nrFigure6.png" style="width:95.0%"
alt="Figure 6. Regulation types of vorinostat-miRNA pairs" />
<figcaption aria-hidden="true">Figure 6. Regulation types of
vorinostat-miRNA pairs</figcaption>
alt="Figure 6. Select small molecule-miRNA pairs by typing in a small molecule ‘vorinostat’." />
<figcaption aria-hidden="true">Figure 6. Select small molecule-miRNA
pairs by typing in a small molecule ‘vorinostat’.</figcaption>
</figure>

</center>

</br>

If we drag the table scroll bar rightmost, it shows that miR-433 is
upregulated by vorinostat and miR-448 is downregulated by vorinostat
(**Figure 7**).

<center>

<figure>
<img src="nrFigure7.png" style="width:95.0%"
alt="Figure 7. Regulation types of vorinostat-miRNA pairs." />
<figcaption aria-hidden="true">Figure 7. Regulation types of
vorinostat-miRNA pairs.</figcaption>
</figure>

</center>
Expand All @@ -112,16 +135,18 @@ vorinostat-miRNA pairs</figcaption>
#### (2). by miRNAs

Similarly, we can select one of the miRNAs in the selected database to
filter small molecule-miRNA pairs. There are 259 pairs left after a
miR-7 filter is applied (**Figure 7** and **Figure 8**).
filter small molecule-miRNA pairs. There are 206 pairs left after a
miR-380 filter is applied (**Figure 8**). Similar to filtering pairs by
small molecules, if you have an idea of which miRNA should be used in
your case, you can type in a miRNA, for example, miR-433 (**Figure 9**).

<center>

<figure>
<img src="nrFigure7.png" style="width:95.0%"
alt="Figure 7. Select small molecule-miRNA pairs by applying a miRNA filter." />
<figcaption aria-hidden="true">Figure 7. Select small molecule-miRNA
pairs by applying a miRNA filter.</figcaption>
<img src="nrFigure8.png" style="width:95.0%"
alt="Figure 8. Select small molecule-miRNA pairs by applying a small molecule filter ‘miR-380’." />
<figcaption aria-hidden="true">Figure 8. Select small molecule-miRNA
pairs by applying a small molecule filter ‘miR-380’.</figcaption>
</figure>

</center>
Expand All @@ -131,27 +156,45 @@ pairs by applying a miRNA filter.</figcaption>
<center>

<figure>
<img src="nrFigure8.png" style="width:95.0%"
alt="Figure 8. Regulation types of small molecule-miR-7 pairs." />
<figcaption aria-hidden="true">Figure 8. Regulation types of small
molecule-miR-7 pairs.</figcaption>
<img src="nrFigure9.png" style="width:95.0%"
alt="Figure 9. Select small molecule-miRNA pairs by typing in a miRNA ‘miR-433’." />
<figcaption aria-hidden="true">Figure 9. Select small molecule-miRNA
pairs by typing in a miRNA ‘miR-433’.</figcaption>
</figure>

</center>

</br>

<center>

<figure>
<img src="nrFigure10.png" style="width:95.0%"
alt="Figure 10. Figure 10. Regulation types of small molecule-miR-7 pairs." />
<figcaption aria-hidden="true">Figure 10. Figure 10. Regulation types of
small molecule-miR-7 pairs.</figcaption>
</figure>

</center>

</br>

If we drag the table scroll bar rightmost, we can see the predicted
down-regulation and up-regulation types of small molecule-miR-448 pairs
(**Figure 10**).

#### (3). by multiple conditions

Deepsmir-Web also allows users to screen the regulation pairs with
multiple conditions (**Figure 9**).
multiple conditions, for example, miR-433, FDA-approved, and P-value
(**Figure 11**).

<center>

<figure>
<img src="nrFigure9.png" style="width:95.0%"
alt="Figure 9. Small molecule-miRNA pairs filtered by multiple conditions." />
<figcaption aria-hidden="true">Figure 9. Small molecule-miRNA pairs
<img src="nrFigure11.png" style="width:95.0%"
alt="Figure 11. Small molecule-miRNA pairs filtered by multiple conditions." />
<figcaption aria-hidden="true">Figure 11. Small molecule-miRNA pairs
filtered by multiple conditions.</figcaption>
</figure>

Expand All @@ -162,14 +205,14 @@ filtered by multiple conditions.</figcaption>
## 2. Curated small molecule-miRNA pairs from Verse

Similarly, for getting the regulatory effects of the Verse pairs users
can apply as the same precedures as in Psmir.
can apply as the same procedures as in Psmir (**Figure 12**).

<center>

<figure>
<img src="nrFigure10.png" style="width:95.0%"
alt="Figure 10. Regulatory effects of small molecule pairs curated from Verse." />
<figcaption aria-hidden="true">Figure 10. Regulatory effects of small
<img src="nrFigure12.png" style="width:95.0%"
alt="Figure 12. Regulatory effects of small molecule pairs curated from Verse." />
<figcaption aria-hidden="true">Figure 12. Regulatory effects of small
molecule pairs curated from Verse.</figcaption>
</figure>

Expand Down

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