Machine Learning-Based Scoring Functions. Development and Applications with SAnDReS.

CONCLUSION: Here, we reviewed the development of machine learning scoring functions to predict binding affinity through the application of the program SAnDReS. Our studies show the superior predictive performance of the SAnDReS-developed models when compared with classical scoring functions available in the programs such as AutoDock4, Molegro Virtual Docker, and AutoDock Vina.
PMID: 32410551 [PubMed - as supplied by publisher]

Source: Current Medicinal Chemistry - May 13, 2020 Category: Chemistry Authors: Bitencourt-Ferreira G, Rizzotto C, de Azevedo Junior WF Tags: Curr Med Chem Source Type: research