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Services

Repository for keeping overview information and reporting issues regarding services hosted by pharmb.io

Issues

Please report all issues regarding the services via our Issue Tracker.

List of hosted services

cpLogD

Weblinks: API , GUI

A confidence predictor for logD using conformal regression and a support-vector machine: The model predicts Log D based on a support vector machine trained on data from ChEMBL version 23 comprising approximately 1.6 million compounds. The confidence interval is calculated for the confidence specified by the slider using the conformal prediction approach. Manuscript DOI: 10.1186/s13321-018-0271-1

MetPred

Weblinks: API , GUI

MetPred — Site-of-Metabolism and Reaction Type Prediction Service MetPred predicts site-of-metabolism using a data mining approach based on Reaction SMARTS to define reaction types. Manuscript Submitted.

PTP

Weblinks: GUI

PTP — Predictive Target Profile PTP produces target profiles consisting of 30 targets extracted from the ExCAPE database.

Reference: Lampa, Samuel, et al. "Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction." Frontiers in pharmacology 9 (2018). Manuscript DOI: 10.3389/fphar.2018.01256

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