OpenEye Public Contributions

OpenEye Public Contributions's repositories

Various programs for using 2D fingerprints (clustering, neighbourhood analysis, etc.).

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3D flexible alignment of molecules.

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Program to create a tautomer-independent compound representation, for use when registering compounds to a database.

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Program to create tautomers and ionisation states relevant to physiological pH.

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Program to display 2D structures of molecules, and create, edit and match SMARTS patterns. Think picto, with a slider.

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A collection of RESTful microservices built around OpenEye toolkits

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Pharmacophore tool based on OpenEye toolkits

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A program to generate 2D pharmacophore fingerprints.

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A web app to perform logic operations on various molecular lists

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