Skip to main content

Table 3 Overview of the main modeling methods and tools implemented natively in Flame

From: Flame: an open source framework for model development, hosting, and usage in production environments

Modeling task Method Source
Structure normalization Standardiser [34]
ChEMBL pipeline [35, 36]
Molecular descriptors calculation RDKit properties [37]
RDKit md [37]
RDKit Morgan fingerprints [37]
Scaling Raw
Autoscaling [9]
Machine learning RF [9, 38]
SVM [9, 39]
PLS [9, 40]
XGBOOST [41]
Conformal regression [42, 43]