Active database

These databases are a rich source of information, yet they do not capture an element of interest, namely the biological endpoint there is no searchable field to identify, in a quantitative manner, what is the target-related activity of a particular compound. Such information is important if one considers that (a) not all chemotypes indexed in patent databases are indeed active - some are just patent claims with no factual basis and that (b) not aU chemotypes disclosed as active are equally active, or selective for that matter, on the target of choice. Furthermore, should one decide to pursue a certain interaction hotspot in a given ligand-receptor structure (assuming good structure-activity models are available), it would be very convenient to mine structure-activity databases for similar chemotypes to use as potential bioisosteric replacements. 

The US-EPA Consolidated Human Activity Database (CHAD) (US-EPA 2007b) contains data obtained from preexisting human activity studies that were collected at city, state, and national levels. CHAD is intended to be an input file for exposure/intake dose modeling and/or statistical analysis. CHAD is a master database providing access to other human activity databases using a consistent format. This facilitates access and retrieval of activity/and questionnaire information from those databases that US-EPA currently has access to and uses in its various regulatory analyses undertaken by program offices. 

US-EPA. 2007b. Consolidated Human Activity Database, http //www.epa.gov/chadnetl/ van Drooge, H.L. and A.G. van Haelst. 2001. Probabilistic Exposure Assessment is Essential for Assessing Risks - Summary of Discussions. Ann. Occup. Hyg. 45 S159-S162. 

These are the modern active databases that have interactive capabilities, and are often searchable for a set of properties. The floppy disks and CD-ROMs have definite dates on them, and do become obsolete with time the Internet databases can, in principle, be updated at very frequent intervals. A note of caution about Internet databases is that some of them have not been vetted for accuracy and can be unreliable. 

Prior to the start of any experimental substrate finding activity, databases should be mined. A tremendous amount of information about proteases, substrates, inhibitors, and structures can be retrieved from two searchable databases MEROPS (Rawlings et al., 2006) (http //merops.sanger. ac.uk) and BRENDA (www.brenda-enzymes.de), that serve as good starting points for assay development in many cases. These databases are available to the public and should be consulted as primary sources of information. 

Many of the commonly used enrichment descriptors are based on two values. The first value is the sensitivity Se, true positive rate, Equation 3.3), which describes the ratio of the number of active molecules found by the VS method to the number of all active database compounds ... 

Inventory of activities The lOCC has established an Inventory of Activities database hosted by OECD. This provides a calender of events, and details of relevant activities of each PO, including a short description of the activities undertaken, with an indication of the relevant program areas of Chapter 19, Agenda 2, to which the work contributes. The title of each activity, the responsible lOMC PO for implementation, any partners involved, the objectives of the work, outputs, geographical coverage, and relevant contact point are also provided. 

Based on the reported anomalies and information from other sources such as network management, firewalls, etc. countermeasures can be initiated. To initiate and control these countermeasures an appropriate mechanism is required. Continuing the analogy between intrusion detection and database theory, the theory of active databases (see e.g. [899]) is applied. The theory of active databases is built around the concept of active rules. An active rule has the following ECA form ... 

Enrichment metrics are frequently derived from ttvo basic values, the sensitivity (Se) and the specificity (Sp). Se or true positive rate is the ratio of the number of selected active molecules and the number of all biological active database molecules (5.1) [9, 65]. 

An Active Database Approach to Complete Rotational-Vibrational Spectra of Small Molecules... 

Nonadiabatic Computations—Where Theory Delivers MARVEL—An Active Database Approach Electronic structure computations... 

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