Grammars and reinforcement learning for molecule optimization. - Egor Kraev (CoRR, 2018)

Probabilistic hypergraph grammars for efficient molecular optimization. - Egor Kraev; Mark Harley (CoRR, 2019)

Out-of-sample scoring and automatic selection of causal estimators. - Egor Kraev; Timo Flesch; Hudson Taylor Lekunze; Mark Harley; Pere Planell Morell (CoRR, 2022)

OTLP: Output Thresholding Using Mixed Integer Linear Programming. - Baran Koseoglu; Luca Traverso; Mohammed Topiwalla; Egor Kraev; Zoltan Szopory (CoRR, 2024)

Shap-Select: Lightweight Feature Selection Using SHAP Values and Regression. - Egor Kraev; Baran Koseoglu; Luca Traverso; Mohammed Topiwalla (CoRR, 2024)