Prediction of compound-target interaction using several artificial intelligence algorithms and comparison with a consensus-based strategy

Prediction of compound-target interaction using several artificial intelligence algorithms and comparison with a consensus-based strategy

Abstract For understanding a chemical compound’s mechanism of action and its side effects, as well as for drug discovery, it is crucial to predict its possible protein targets. This study examines 15 developed target-centric models (TCM) employing different molecular descriptions and machine learnin...

Cur síos iomlán

Sonraí bibleagrafaíochta
Príomhchruthaitheoirí: Karina Jimenes-Vargas, Alejandro Pazos, Cristian R. Munteanu, Yunierkis Perez-Castillo, Eduardo Tejera
Formáid: Alt
Teanga:English
Foilsithe / Cruthaithe: BMC 2024-03-01
Sraith:Journal of Cheminformatics
Ábhair:
Target identification
Target fishing
Ligan-based modeling
Machine learning
QSAR
Rochtain ar líne:https://doi.org/10.1186/s13321-024-00816-1

Ar líne

https://doi.org/10.1186/s13321-024-00816-1

Míreanna comhchosúla