JChem PostgreSQL Cartridge MadFast Similarity Search Marvin Live JChem Presentation

Shrinking the Haystack

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on 2019-09-13

JChem PostgreSQL Cartridge MadFast Similarity Search Marvin Live JChem Presentation

Shrinking the Haystack

Haystack project introduces the problem of finding the relevant information in the ever-growing available chemical data. Our project will showcase how to combine the public chemical databases, how to filter the duplicates, how to run a query - let's say a similarity search, and how to digest this giant amount of data on a convenient interface.

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Haystack project introduces the problem of finding the relevant information in the ever-growing available chemical data. Our project will showcase how to combine the public chemical databases, how to filter the duplicates, how to run a query - let's say a similarity search, and how to digest this giant amount of data on a convenient interface.

Download the presentation slides

Marvin

The new Marvin is a universal chemical editor that serves the needs of any chemist involved in research and drug discovery.

Design Hub

A compound design and tracking platform for drug discovery teams and their external collaborators that connects scientific hypotheses, candidate compound selection and computational capabilities.

Compound Registration

Compound Registration compares the uniqueness of new small molecules against those already stored in your database.

Design Hub

Shrinking the Haystack

Shrinking the Haystack

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