README.md

Super-PRED Target Prediction Automaton

Lets you take (and filter) the predicted targets, indicators and known binders based on a SMILES code from Super-PRED website (https://prediction.charite.de/subpages/target_prediction.php).

Installation

You can install the package via composer:

composer require nekhbet/superpred-targetprediction

Usage

$client = new SuperPREDTargetPrediction(requestTimeout: 60);
$client
    ->setSMILESCode('Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c3c3c2c1c1c2c3c3c4c(O)cc(O)c3C(=O)c2c(O)cc1C')
    ->run();
$binders     = $client->getBinders();
$targets     = $client->getTargets(min_probability: 80, min_model_accuracy: 95);
$indications = $client->getIndications(min_probability: 80, min_model_accuracy: 95);

Output example: 
...
 [12] => Array
    (
        [target_name] => Thyroid hormone receptor alpha
        [id_chembl] => CHEMBL1860
        [id_uniprot] => P10827
        [id_pdb] => 3ILZ
        [id_tdd] => T79591
        [probability] => 81.71
        [model_accuracy] => 99.15
    )
...

Credits

• Sorin Trimbitas