MACCS code

The most commonly known Level-Ill PRA tools include the CRAC code and the MACCS code. 

There is a wealth of databases that code available compounds typically in the two-dimensional standard data (2D-SD) format including connectivity from MACCS (32, 64). The most common databases are the Available Chemicals Directory (ACD) (42), Spresi (65), Chemical Abstracts Database (66), and the National Cancer Institute Database (67, 68). Many vendors of chemicals also provide searchable databases with 2D-structure and... 

In 1995, a joint project was started between SNL and KRI concerning the analysis of radiological accident consequences. The content and results of this work were reported at the preceding Workshop [4]. At present, KRI under the contract with SNL performs the verification of MACCS-2 Code by comparing calculated results with real field observations of radioactive contamination formed in 1957 during the explosion of the high-level tank in Chelyabinsk-65. 

The MACCS2 code modeled weather for transport and dispersion by sampling a database of 8760 hourly weather data covering one full year. The Typical Meteorological Year for the Albuquerque International Airport (Sunport), as developed by the National Climatic Center, was chosen as representative site weather data (Aldrich et al. 1982). This same weather file has been used for CRAC and MACCS dose versus distance calculations in TA-V SARs since 1980. 

A few of the doses were calculated with an older version of the code (MACCS Version 1.5.11.1) and dose conversion factor library using the same input parameters. Both versions of the code and dose conversion factor library gave almost identical results for these inputs. Further details on the calculation method and inputs can be found in the MACCS2 user manual (Chanin and Young 1997) and in the airborne dose versus distance database documentation (Naegeli 1999). 

Fig. 1.16 Network-like similarity graph (NSG) depicting the CS and activity relationships of a set of lipoxygenase inhibitors taken from the work of Wawer et al. [170], Compound potencies are color coded as shown by the colored bar on the upper left hand side of the figure, red being the most active and green being the least active. Compounds are connected by an edge if the MACCS Tanimoto similarity value of a given compound pair exceeds 0.65. The decimal numbers associated with clusters of compounds correspond to SAR Index scores (See text for additional details)...

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