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Supplemental Figure 2. Training Set molecules. Macrolide Antibiotics. . . . Erythromycin. Clarithromycin. . Troleandomycin. Calcium Channel Blockers. . Amlodipine. Diltiazem. . Verapamil. Nifedipine. CNS Drugs. MDE. R,S-methylenedioxymethamphetamine (MDMA). Fluoxetine.
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Supplemental Figure 2 Training Set molecules
Macrolide Antibiotics Erythromycin Clarithromycin Troleandomycin
Calcium Channel Blockers Amlodipine Diltiazem Verapamil Nifedipine
CNS Drugs MDE R,S-methylenedioxymethamphetamine (MDMA) Fluoxetine MBDB Methamphetamine Fenfluramine
CNS Drugs Amitriptyline Imipramine Benzphetamine Brompheniramine Diphenhydramine
CNS Drugs Paroxetine Fluvoxamine Mirtazepine Propoxyphene
HIV Protease Inhibitors Nelfinavir Amprenavir Indinavir Ritonavir Saquinavir