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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]