QSAR Interfaces

QSAR Interfaces

Because QSAR will coordinate software packages from several open source projects, interoperability will be a high priority.

The definition and use of Java interfaces are powerful techniques for maximizing interoperability of heterogeneous software components. We are considering an approach in which QSAR specifies, through Java interface definitions, the set of behaviors needed by QSAR clients. Interfaces would most likely be defined for the components mentioned elsewhere on this site. A complete set of default interface implementations would also be provided by QSAR. Benefits to QSAR developers would include:

  • QSAR software can be developed using a single, internally consistent API.

  • Implementations optimized for a particular parameter, such as speed, can be developed and used by QSAR without refactoring QSAR or code based on it.

  • The components that QSAR will depend on can continue to evolve and improve without refactoring any QSAR code.

We are currently at the stage of defining a set of Java interfaces for molecules and related model-level objects. Our working definition is based on Octet.

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