MACCS Drug Data Report

MDDR, MACCS Drug Data Report, MDL Information Systems Inc., San Leandro, California, USA. 

An exhaustive analysis of 2995 molecule pairs extracted from the 98.1 version of Bioster database indicated that similarity measures based on 2D molecular fingerprints or electrostatic field descriptors were complementary although 2D methods could be adequate for similarity analyses [55]. To evaluate a range of similarity measures among synthetic substances and natural products, the Willett group also used 5024 compounds from Bioster database as well as sets of selected bioactive compounds from the more populous Chemical Abstract Service, ID-Alert, MACCS Drug Data Report, and NCI AIDS databases [56]. 

MACCS-11 Drug Data Report Database, Distributed by MDL Information Systems, Inc., San Leandro, CA. 

Prous Drug Data Report, MACCS format distributed by Molecular Design Limited, San Leandro, CA. 

Figure 6. Substructure versus similarity search over MACCS-II Drug Data Report...

The following chemical databases are available for searching in MACCS-II. ChemicalDirectoy Database contains a combined catalogue of 66 commercial suppHers of more than 77,000 organic chemicals. AL4.CCS-II Drug Data eport based on the Prous Dmg Data Report, includes 39,000 compounds with information on therapeutic indication, biological action, phase of development, related patents, and Hterature references. MUSE Database the tutorial database for MACCS-II, contains over 100 compounds. 

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