Perturbation-theory machine learning for mood disorders: virtual design of dual inhibitors of NET and SERT proteins

Perturbation-theory machine learning for mood disorders: virtual design of dual inhibitors of NET and SERT proteins

Abstract Mood disorders affect the daily lives of millions of people worldwide. The search for more efficient therapies for mood disorders remains an active field of research. In silico approaches can accelerate the search for inhibitors against protein targets related to mood disorders. Here, we de...

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Bibliographic Details
Main Authors: Valeria V. Kleandrova, M. Natália D. S. Cordeiro, Alejandro Speck-Planche
Format: Article
Language:English
Published: BMC 2025-01-01
Series:BMC Chemistry
Subjects:
PTML, topological indices
Subgraph, fragment, fragment-based topological design
Multilayer perceptron
Mood disorders
Online Access:https://doi.org/10.1186/s13065-024-01376-z
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https://doi.org/10.1186/s13065-024-01376-z

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