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PetoronAI-Drug-Discovery
PetoronAI Drug Discovery Experiments
... • 2,225,137 experimental records • 602 experimentally measured drug pairs • Blind pair-level benchmark • 20×10 cross-validation • 99.5% validation coverage Validation: Correlation = 0.617327 MAE = 3.971799 Null model MAE = 4.656203 Sign accuracy = 64.69% Permutation p = 0.000100 Top HSA hypotheses: • Dactinomycin + Vinblastine sulfate (9.096) • Cabazitaxel + Vinblastine sulfate (8.224) • Mitoxantrone + Vinblastine sulfate (7.254) • Cabazitaxel + Mitoxantrone (7.128) • Dactinomycin + Daunorubicin HCl (6.965) Generated laboratory validation protocols (8×8 dose matrix, HSA, Bliss, Loewe, ZIP). Computational hypotheses only. Independent laboratory validation required. Petoron | Ivan Alekseev
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