Artificial intelligence for natural product drug discovery.
Nat Rev Drug Discov
; 22(11): 895-916, 2023 11.
Article
in En
| MEDLINE
| ID: mdl-37697042
ABSTRACT
Developments in computational omics technologies have provided new means to access the hidden diversity of natural products, unearthing new potential for drug discovery. In parallel, artificial intelligence approaches such as machine learning have led to exciting developments in the computational drug design field, facilitating biological activity prediction and de novo drug design for molecular targets of interest. Here, we describe current and future synergies between these developments to effectively identify drug candidates from the plethora of molecules produced by nature. We also discuss how to address key challenges in realizing the potential of these synergies, such as the need for high-quality datasets to train deep learning algorithms and appropriate strategies for algorithm validation.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Biological Products
/
Artificial Intelligence
Limits:
Humans
Language:
En
Journal:
Nat Rev Drug Discov
Journal subject:
FARMACOLOGIA
/
TERAPIA POR MEDICAMENTOS
Year:
2023
Document type:
Article
Affiliation country: