Step 1. Enter your interest compound in the search box
Notice:
Each line contains a compound SMILES and a compound name.
The compound SMILES and the name is separated by a space or a tab.
Please use a combination of numbers, letters, or underscores to name the compound.
The current version can only recognize compounds in SMILES format. For more information about SMILES, please see:
Simplified Molecular Input Line Entry System.
If you do not know the compound's SMILES, You can use Marvin JS for format conversion.
The following steps show a simple example of get compound's SMILES. For more details, see Marvin JS User's Guide.
Step 2. Run Anti-Fungi Predictor and wait for few miniutes
Click "Predict" button to run Anti-Fungi Predictor.
If input correctly, the page will jump to the wait page. In the wait page, you can copy the query ID, the query ID will be used when outputting the result.
If input error, the page will display an error message. You need to check the input compound and resubmit.
Step 3. Get and download your results
The wait page will automatically jump into the result page after some time.
You can also use the query ID to get the results. Paste your query ID to the web link:
http://drug.kiz.ac.cn:8080/antiFungi/result/?q=Your query ID
Then paste the link into the address bar of the browser.
In the result page, the topleft box shows the input compound and the topright box shows a brief description of the results and a download link.
The detailed results including the following items:
# Rank = Ranked by SVM Prob and RF Prob.
# Query ID = Your queried compound.
# Match ID = The highest similarity active anti-fungal compound to your queried compound.
# Max TC = Maximum tanimoto coefficient based on fingerprint, the value indicates the similarity to the queried compound, range from 0 (no similar) to 1 (completely similar).
# SVM Prob = Probability estimation by support vector machine, the value indicates the anti-fungal activity, range from 0 (no activity) to 1 (high activity).
# RF Prob = Probability estimation by random forest, the value indicates the anti-fungal activity, range from 0 (no activity) to 1 (high activity).
# Activity = Anti-Fungi activity classification based on SVM Prob and RF Prob. if SVM Prob > 0.5 and RF Prob > 0.5, we define the compound has a high anti-fungal activity; if only one of them > 0.5, we define the compound has a moderate anti-fungal activity; if no one > 0.5, we define the compound has a low anti-fungal activity.
You can also download the results by click the "Download" link.
