Predictivity of algorithms trained upon T. pyriformis growth inhibition/rat acute lethality parent and feature-reduced subsets (with corresponding descriptor totals relating to each further displayed).

Performance is presented in terms of R2train, R2cv (k = 10) and R2over. Highest- and lowest-scoring models in former two metrics shaded green and orange respectively. Highest- and lowest-scoring in the latter (representing extent of overfitting) conversely coloured orange and green respectively.