Additional downloads for "Data set and source code for generative multi-target compound modeling"

The provided download is an extension of "Data set and source code for generative multi-target compound modeling". The archive contains all 200M sampled smiles, their fingerprint, and descriptors. It also provides the fine-tuned model for every epoch. For more details, the source code and the data set please refer to the GitHub repository (github.com/tblaschke/reinvent-multi-target).

Related Organizations

University of Bonn
Germany

Keywords

multitarget activity, promiscuity, deep learning, de novo design

Impact byBIP!

	selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	0
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Average
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average