Table 1 Open in new tab AI/ML-based...

AI/ML tools

Details

Website URL

References

A network label propagation to identify SARS-CoV-2 interactors

https://github.com/Murali-group/SARS-CoV-2-network-analysis

[25]

Dense fully convolutional neural network

Identification and ranking of protein-ligand interactions by virtual drug screening

[26]

Natural language processing

MT-DTI to screen potential antivirals

[27]

CNN

Identification and ranking of drug-target interactions with binding affinity

[28]

Integrated deep learning methodology

Discovery of drug candidates by knowledge-graph-networks

https://github.com/ChengF-Lab/CoV-KGE

[30]

GCN

Identification and ranking of drugs by multi-rational and variational graph autoencoder

https://github.com/yejinjkim/drug-repurposing-graph

[31]

GCN with attentional mechanism

Discovery of drug candidates by medical knowledge graph

https://github.com/FangpingWan/NeoDTI

[32]

GCN

Construction of the virus-related knowledge graph

https://github.com/FangpingWan/CoV-DTI

[33]

GCN, network diffusion and network proximity

Identification and ranking of virus-host interactions by drug efficacy screening

https://github.com/Barabasi-Lab/COVID-19

[34]

AI-based platform- InfinityPhenotype

Analysis of transcriptomic data

[36]

Artificial neural network

Analysis of transcriptomic, proteomic, structural data and aging signatures

https://github.com/uhlerlab/covid19_repurposing

[37]

GCN with multi-head attention mechanism

Analysis of gene expression profiles perturbed by de novo chemicals

https://github.com/pth1993/DeepCE

[38]

CNN

Analysis of sequence identity and structure similarity, molecular docking

[40]

Random forest

Prediction of docking simulation scores

[41]

An end-to-end deep neural network

Prediction of protein ligand interaction probability, validation by drug docking algorithm

https://github.com/ekraka/SSnet

[42]

Naïve Bayes

Ranking based on various binding energy function, validation by docking method

[43]

Table 1

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AI/ML-based studies on COVID-19 drug repositioning

AI/ML tools	Details	Website URL	References
RL	A network label propagation to identify SARS-CoV-2 interactors	https://github.com/Murali-group/SARS-CoV-2-network-analysis	[25]
Dense fully convolutional neural network	Identification and ranking of protein-ligand interactions by virtual drug screening	NA	[26]
Natural language processing	MT-DTI to screen potential antivirals	NA	[27]
CNN	Identification and ranking of drug-target interactions with binding affinity	NA	[28]
Integrated deep learning methodology	Discovery of drug candidates by knowledge-graph-networks	https://github.com/ChengF-Lab/CoV-KGE	[30]
GCN	Identification and ranking of drugs by multi-rational and variational graph autoencoder	https://github.com/yejinjkim/drug-repurposing-graph	[31]
GCN with attentional mechanism	Discovery of drug candidates by medical knowledge graph	https://github.com/FangpingWan/NeoDTI	[32]
GCN	Construction of the virus-related knowledge graph	https://github.com/FangpingWan/CoV-DTI	[33]
GCN, network diffusion and network proximity	Identification and ranking of virus-host interactions by drug efficacy screening	https://github.com/Barabasi-Lab/COVID-19	[34]
AI-based platform- InfinityPhenotype	Analysis of transcriptomic data	NA	[36]
Artificial neural network	Analysis of transcriptomic, proteomic, structural data and aging signatures	https://github.com/uhlerlab/covid19_repurposing	[37]
GCN with multi-head attention mechanism	Analysis of gene expression profiles perturbed by de novo chemicals	https://github.com/pth1993/DeepCE	[38]
CNN	Analysis of sequence identity and structure similarity, molecular docking	NA	[40]
Random forest	Prediction of docking simulation scores	NA	[41]
An end-to-end deep neural network	Prediction of protein ligand interaction probability, validation by drug docking algorithm	https://github.com/ekraka/SSnet	[42]
Naïve Bayes	Ranking based on various binding energy function, validation by docking method	NA	[43]

AI/ML tools	Details	Website URL	References
RL	A network label propagation to identify SARS-CoV-2 interactors	https://github.com/Murali-group/SARS-CoV-2-network-analysis	[25]
Dense fully convolutional neural network	Identification and ranking of protein-ligand interactions by virtual drug screening	NA	[26]
Natural language processing	MT-DTI to screen potential antivirals	NA	[27]
CNN	Identification and ranking of drug-target interactions with binding affinity	NA	[28]
Integrated deep learning methodology	Discovery of drug candidates by knowledge-graph-networks	https://github.com/ChengF-Lab/CoV-KGE	[30]
GCN	Identification and ranking of drugs by multi-rational and variational graph autoencoder	https://github.com/yejinjkim/drug-repurposing-graph	[31]
GCN with attentional mechanism	Discovery of drug candidates by medical knowledge graph	https://github.com/FangpingWan/NeoDTI	[32]
GCN	Construction of the virus-related knowledge graph	https://github.com/FangpingWan/CoV-DTI	[33]
GCN, network diffusion and network proximity	Identification and ranking of virus-host interactions by drug efficacy screening	https://github.com/Barabasi-Lab/COVID-19	[34]
AI-based platform- InfinityPhenotype	Analysis of transcriptomic data	NA	[36]
Artificial neural network	Analysis of transcriptomic, proteomic, structural data and aging signatures	https://github.com/uhlerlab/covid19_repurposing	[37]
GCN with multi-head attention mechanism	Analysis of gene expression profiles perturbed by de novo chemicals	https://github.com/pth1993/DeepCE	[38]
CNN	Analysis of sequence identity and structure similarity, molecular docking	NA	[40]
Random forest	Prediction of docking simulation scores	NA	[41]
An end-to-end deep neural network	Prediction of protein ligand interaction probability, validation by drug docking algorithm	https://github.com/ekraka/SSnet	[42]
Naïve Bayes	Ranking based on various binding energy function, validation by docking method	NA	[43]

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