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DrugEx v2 pretrained model (ChEMBL31)

Name: DrugEx v2 pretrained model (ChEMBL31)
Creator: Béquignon, Olivier J. M.
Keywords: reinforcement learning, multi-objective optimization, drug design, exploration strategy, ChEMBL, deep learning, pretrained model, policy gradient

appsOther research productkeyboard_double_arrow_right Other ORP type 20 Sep 2022Publisher:Zenodo

Authors: Béquignon, Olivier J. M.;

doi: 10.5281/zenodo.7378916 , 10.5281/zenodo.7096844 , 10.5281/zenodo.7096845

DrugEx v2 pretrained model (ChEMBL31)

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Abstract

This SMILES-model was built with version v2 of DrugEx. The dataset used to build this model was ChEMBL version 31. This version of the model is adapted to be compatible with current DrugEx release 3.3.0.

Related Organizations

Leiden University
Netherlands

Keywords

reinforcement learning, multi-objective optimization, drug design, exploration strategy, ChEMBL, deep learning, pretrained model, policy gradient

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2 Research products, page 1 of 1

The ChEMBL database in 2017
2016IsDerivedFrom
CDDLeiden/DrugEx: DrugEx version 3.2.0
2022Compiles

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	citations 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).	1
	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