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Commits on Jan 13, 2023

• Add a paper on metrics for virtual screening

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Commits on Nov 22, 2022

• Add a recent paper on active learning

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Commits on Sep 20, 2022

• Add a paper on MG with a transformer-decoder model

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Commits on Sep 13, 2022

• Add a recent article on DEL and ML

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Commits on Sep 11, 2022

• Add a paper of ChemBERTa-2

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Commits on Aug 26, 2022

• Add a perspective on phenotypic drug discovery

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Commits on Jul 25, 2022

• Add a recent commentary by Gerry Maggiora

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• Add the preprint version of this survey

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Commits on Jul 9, 2022

• Update papers on contrastive learning for MPP

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Commits on Jun 13, 2022

• Add a perspective on ML evaluation guidelines

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Commits on May 6, 2022

• Add a paper on automated chemical design levels

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Commits on Apr 25, 2022

• Add a recent review on ML for human PK prediction

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Commits on Apr 6, 2022

• Add a paper on rigorous model evaluation

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Commits on Feb 25, 2022

• Add a paper on adjusting classification threshold

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Commits on Feb 17, 2022

• Two papers on transformers for MPP and MG (SMILES)

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Commits on Feb 16, 2022

• Update the citation of this repo

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Commits on Jan 26, 2022

• Add a paper on model comparison with stats rigor

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Commits on Jan 18, 2022

• Add a review on small molecule design

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Commits on Dec 16, 2021

• Add a recent perspective on explainable ML

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Commits on Dec 14, 2021

• Add "Scaffold-Constrained Molecular Generation"

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Commits on Dec 1, 2021

• Add ATOM3D (3D molecular learning)

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Commits on Nov 28, 2021

• Add a subsection on docking (structure-based VS)

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• Add a recent paper on flow-based generative model

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Commits on Nov 16, 2021

• Add the citation for this survey. XD

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Commits on Oct 28, 2021

• Add a recent review on generative modeling

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Commits on Oct 18, 2021

• Add DESMILES (RNN) for molecule generation

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Commits on Oct 15, 2021

• Update the paper link for GraphINVENT

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Commits on Oct 7, 2021

• Add a recent paper Img2Mol from Bayer

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Commits on Sep 20, 2021

• Add a challenge on AI model adoption

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Commits on Sep 6, 2021

• Add an interview article with Gisbert Schneider

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Commits on Sep 2, 2021

• Add a review on privileged drug scaffolds

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• Molecular property prediction - few shot learning

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Commits on Aug 31, 2021

• Add a paper on the application of inverse RL

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Commits on Aug 30, 2021

• Add a recent paper related to uncertainty

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• Add a review from Drug Discov Today Technol

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