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Drug LikenessBelow you see a section of an SDFile with the prediction results from PASS. We introduced a new field "DRUG_LIKENESS" that tells you the percentage that your compound is drug like. This one is with 97.9 % probability a drug. The answer is right, the compound is from a group of acetylcholinesterase inhibitors taken from MDDR. -ISIS- 09190111482D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.7103 1.9897 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -.... 26 27 1 0 0 0 0 M END > <MOLREGNO> (66219) 66219 > <DRUG_LIKENESS> 0.979 > <ACTIVITY_PREDICTION> 45 substructure descriptors; 0 new. Exclude structure with activities: Acetylcholinesterase inhibitor Cholinergic Cognition disorders treatment 163 of 1043 possible activities at Pa > Pi. Pa Pi for Activity: 0.869 0.010 Nootropic 0.812 0.018 Antiamyloidogenic 0.768 0.007 Antipa.... |