Molecular Drug Data Report

Molecular Drug Data Report. Available form Molecular DDR. 

Molecular Drug Data Report (MDDR), 2005, MDL Information Systems Inc., San Leandro,... 

Matrix assisted laser desorption ionization - time of flight mass spectrometry MDL Drug Data Report Molecular Design Limited Molecular orbital Mass spectrometry Molecular weight National Cancer Institute Neurokinin... 

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]. 

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

There had been numerous reports in the literature that involved LC/MS and LC/MS/MS for characterization of degradation products [1, 88-97]. An early example of the rapid structure elucidation of drug degradants induced by acid, base and heat by LC/MS was reported by Rourick et al. in 1996 [90]. In general, the LC/UV/MS provided the UV and molecular weight data. 

The FDA Modernization Act of 1997 contains a requirement for public disclosure and congressional reporting by October 2001 of Phase IV studies. FDA intends to meet the public disclosure requirement by posting Phase IV study commitments, the projected end of the study, and the current status of the study on their web site [102]. Sponsors whose new drug was approved with a Phase IV study requirement must submit an initial status report to FDA within one year of approval. According to data compiled by Public Citizen s Health Research Group [103], not one of the Phase IV study commitments for 107 new molecular entities approved between January 1995 and December 1999 had been completed as of December 1999. 

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