Finding new potential acetylcholine esterase Inhibitors in SDFiles using CWM Lead Finder and PASS (Prediction of Activity Spectra for Substances)
نویسندگان
چکیده
Chemical Workflow Manager (CWM) provides the non computer specialist a graphical user interface (GUI) to execute predefined chemistry related workflows. We provide several such predefined (and supported) workflows as products such as CWM Lead Finder and CWM Structure Comparer. CWM products are ready to use ‘one-click’ workflows. CWM is not a toolbox such as most of other workflow shells. Our vision is to incorporate free scientific software (such as CDK [1], Weka [2] and others) in ready to use and supported products usable by non computer specialists using a common user interface.
منابع مشابه
Prediction of biological activity spectra for substances: evaluation on the diverse sets of drug-like structures.
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