How to Visualize Your Compounds Database

QuantaBricks

Oct 15

Visualize your chemical space and show it to your manager

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2 Comments

Daniel Popescu / ⧉ Pluralisk

Oct 16

Couldn't agree more. Great point on chemical space. Does reduced dimensinality always retain all key features?

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I don't think so. They just reproduce the distribution of data in 2-Dimention, and also lose some chemical features.

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