SuperCYPsPred

SuperCYPsPred

SuperCYPsPred

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Prediction

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e.g. Fluvoxamine, Amiodarone, Tolcapone, Warfarin, Pantoprazole, Sertraline

e.g. COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F

Fluvoxamine

loads a molecule deletes single atoms deletes everything

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Fingerprints:

MACCS Morgan

Models:

CYP1A2

CYP2C19

CYP2C9

CYP2D6

CYP3A4

© Structural Bioinformatics Group 2019

Last updated: March 2020
Disclaimer: Compound structures submitted will not be released under any circumstances. This work is licensed under a Creative Commons Attribution-Noncommercial License.