Maybridge compound library

Additionally, the Maybridge compound library (Version 2003, containing 59194 compounds) is converted into multi-conformational format and screened, analyzing the resulting hit lists for their accordance with the Lipinski drug-likeness criteria as applied to the PDB ligand database. A maximum mol weight of... 

Compound library 500,000 or more Industry standard, unbiased, novelty Expensive, laborious Chembridge, Chemdiv, Maybridge, Asinex... 

It is derived from the third principal component PC3 calculated by applying Principal Component Analysis on Maybridge library compounds described by 26 molecular descriptors [Briistle, Beck et al, 2002] ... 

Major LL, Smith TK (2011) Screening the MayBridge Rule of 3 Fragment Library for Compounds That Interact with the Trypanosoma brucei myo-Inositol-3-Phosphate Synthase and/or Show Trypanocidal Activity. Molecular Biology International 2011 1-14... 

Databases such as the NIST Mass Spectral Library (107,216 organic compounds, 5,943 duplicates or stereoisomeric pairs detected in the 1998 version) or the Maybridge Combinatorial Chemistry Database (MayDec02CCeus, 13,410 compounds with 19 duplicates) were processed by MOLGEN-CID. 

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