Search configuration · population & generations
Defaults are 60 × 30, the reported configuration. Lower is faster but measurably costs front quality and analog yield on most anchors; raising generations mainly buys more candidates rather than a better front.
These are balanced against each other (a Pareto search), so no single score can be gamed. The 8 ADMET safety endpoints are scored after the search, never optimised directly, so any reduction is an emergent result. This pack organically lowers AMES, hERG, and CYP1A2 / 2C9 / 2C19; DILI and CYP3A4 are its known gaps.
All six is the reported configuration. Dropping one is an ablation: it changes what the search optimises, not which molecules are admissible, so the feasibility constraints stay put and runs remain comparable. At least two are needed. Each run records the set and the catalogue it used.