Structure similarity search with the wavelet matrix algorithm

A session at JCUP IV

Friday 7th June, 2013

1:30pm to 2:00pm (CJT)

Searching for substructures in molecules belongs to the most elementary tasks in cheminformatics. Especially in graph-based similality searching, it is required to develop algorithms for fastsearch to deal with large compound dabases. Recently, several application tools such as gSpan, GASTON, gWT were released. In this study, we tested the simirarity searching speed of gWT software using large compound database (ChEMBL_14).

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kazufumi ohkawa

research scientist at mochida pharmaceutical bio from LinkedIn

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2:30pm Towards Evidence Based Medicinal Chemistry via Big Data Analysis by Ed Griffen

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Japan Japan, Tokyo

6th7th June 2013

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Time 1:30pm2:00pm CJT

Date Fri 7th June 2013


Ohtemachi SunSky Room, Asahi Seimei Ohtemachi Building

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