nekhbet / superpred-targetprediction

Charité的Super-PRED（靶点预测）服务的API

维护者

详细信息

github.com/nekhbet/SuperPRED-TargetPrediction

开放问题: 0

2.0.0 2024-02-22 19:24 UTC

Requires

php: ^8.0
ext-dom: *
ext-libxml: *
guzzlehttp/guzzle: ^7.8

Requires (Dev)

phpunit/phpunit: ^9.0

Suggests

None

Provides

None

Conflicts

None

Replaces

None

MIT fa0571a58a62ef30167f39256e87dc241268fc47

Sorin Trimbitas <trimbitassorin.woop@hotmail.com>

php nekhbet SuperPRED Target Prediction Sorin Trimbitas

dev-main
2.0.0
1.0.1
1.0.0

This package is auto-updated.

Last update: 2024-09-22 20:39:51 UTC

README

允许您根据从Super-PRED网站（https://prediction.charite.de/subpages/target_prediction.php）获取的SMILES代码来获取（并筛选）预测靶点、指标和已知结合物。

安装

您可以通过composer安装此软件包

composer require nekhbet/superpred-targetprediction

使用方法

$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
    )
...

致谢

Sorin Trimbitas