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Virtual Screening on LIT-PCBA (test)

60.93AUROCGnina
51.091653.645856.258.7542Feb 16, 2026Feb 26, 2026Mar 9, 2026Mar 20, 2026Mar 30, 2026Apr 10, 2026Apr 21, 2026

Evaluation results

MethodLinks
Gnina2026.0260.935.4—4.63———
GninaScreening Strategy=pocket-based2026.0460.930.054—4.63———
BigBind2026.0260.8——3.82———
BigBindScreening Strategy=pocket-based2026.0460.8——3.82———
BindCLIPseeds=52026.0259.157.889.846.262.9——
Planet2026.0257.31—4.643.872.43——
PlanetScreening Strategy=pocket-based2026.0457.31—4.643.872.43——
DrugCLIPScreening Strategy=pocket-based2026.0457.170.06238.565.512.27——
DeepDTA2026.0256.272.53—1.47———
DeepDTAScreening Strategy=pocket-based2026.0456.270.0253—1.47———
DrugCLIPseeds=52026.0255.456.418.245.212.14——
DrugHashreproduced=true, seeds=52026.0254.346.497.865.352.32——
CLIPP-SETScreening Strategy=pocket-based2026.0453.760.06559.665.632.06——
Glide-SPPrecision=Standard Precision2026.0253.1543.173.412.01——
Glide-SPScreening Strategy=pocket-based2026.0453.150.043.173.412.01——
Surflex2026.0251.47——2.5———
SurflexScreening Strategy=pocket-based2026.0451.47——2.5———