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	Dataset summary
	Drug summary
	Umap of single cell types and conditions (resistant and sensitive)
	Comparison of cell composition between the resistant and sensitive groups (This dataset does not contain this module)
	Comparison of intra-tumor heterogeneity (ITH) and epithelial-mesenchymal transition (EMT) scores of malignant cells between the resistant and sensitive groups
	Difference of cell-cell interactions between the resistant and sensitive groups (This dataset does not contain this module)
	Differentially expressed genes (DEGs) between the resistant and sensitive groups for each cell type
	Mechanism analysis of drug resistance-related DEGs for each cell type in the pre-treatment samples (This dataset does not contain this module)
	Mechanism analysis of drug resistance-related DEGs for each cell type in the post-treatment samples (This dataset does not contain this module)
	Mechanism analysis of drug resistance-related DEGs for each cell type in one patient or cell lines
	MicroRNAs (miRNAs) regulating drug resistance-related DEGs for Malignant cells
	Motifs and transcription factors (TFs) regulating drug resistance-related DEGs for each cell type
•	Differentially expressed genes act as transcription factors

Dataset: GSE115251

Dataset summary for GSE115251

Datast information	Dataset	GSE115251
	PMID	31391581
	Raw data ID/link	PRJNA474340
	Organism	Homo sapiens
	Source	Kelly cell line
	Tissue	Cell line
	Cancer type level1	Neuroblastoma
	Cancer type level2	Neuroblastoma
	Regimen	TAE684
	Drug type	Targeted therapy
	Sample size	resistant 1, sensitive 1
	Cell number	11790
	Extract protocol	10x genomics
	Data processing	CellRanger
	Public date	Public on Aug 07, 2019
	Description	This dataset has 2 cell lines, each with a sensitive pre-treatment sample and a resistant post-treatment sample.

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Drug summary for GSE115251

Drug name	DrugBank ID	Drug type	Targets name	Targets uniprot ID
"TAE684" is not included in the drug list.

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Umap of single cell types and conditions (resistant and sensitive)

Umap of cell types and conditions (resistant and sensitive). If this dataset has both pre-treatment and post-treatment samples, the cell types were annotated together. If this dataset is a cell line dataset, the UMAP of cell clusters and the cell ratio of drug-resistant and sensitive groups within each cluster will also be shown. (If the image exists, the user can click on it to enlarge it in a new window.)

Umap of cell types	Umap of conditions
Umap of cell clusters	Cell ratio of drug-resistant and sensitive groups within each cluster

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Comparison of cell composition between the resistant and sensitive groups

In the pre-treatment samples, the cell composition of the resistant and sensitive groups were compared.
* represents significant difference. (If the image exists, the user can click on it to enlarge it in a new window.)

In the post-treatment samples, the cell composition of the resistant and sensitive groups were compared.
* represents significant difference. (If the image exists, the user can click on it to enlarge it in a new window.)

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Comparison of ITH and EMT scores of malignant cells between the resistant and sensitive groups

Comparison of ITH (intra-tumoral heterogeneity) and EMT (epithelial-mesenchymal transition) scores of malignant cells between the resistant and sensitive groups. ITH represents intratumoral heterogeneity, EMT represents epithelial mesenchymal transition, pre represents pre-treatment, post represents post-treatment, post2 represents longer post-treatment. (If the image exists, the user can click on it to enlarge it in a new window.)

Comparison of ITH scores

Comparison of EMT scores

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Difference of cell-cell interactions between the resistant and sensitive groups

In the pre-treatment samples, the difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

In the post-treatment samples, the difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

This dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

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Differentially expressed genes (DEGs) between the resistant and sensitive groups for each cell type

In the pre-treatment samples, the differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.

In the post-treatment samples, the differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.

This dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The following are differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.

Gene symbol	Gene id	avg_log2FC	p_val	p_val_adj	pct.1	pct.2	Cell type	Timepoint
CNOT2	ENSG00000111596	0.388608	0.00e+00	0.00e+00	0.666	0.461	Malignant cells	NA
NELFCD	ENSG00000101158	0.388324	0.00e+00	0.00e+00	0.855	0.732	Malignant cells	NA
ZNF593	ENSG00000142684	0.387009	0.00e+00	0.00e+00	0.867	0.75	Malignant cells	NA
OS9	ENSG00000135506	0.386486	0.00e+00	0.00e+00	0.5	0.28	Malignant cells	NA
RP11-395G23.3	NA	0.386189	0.00e+00	0.00e+00	0.535	0.382	Malignant cells	NA
SUMO2	ENSG00000188612	0.385781	0.00e+00	0.00e+00	1	1	Malignant cells	NA
STAU1	ENSG00000124214	0.385768	0.00e+00	0.00e+00	0.784	0.638	Malignant cells	NA
TEAD2	ENSG00000074219	0.38565	0.00e+00	0.00e+00	0.463	0.231	Malignant cells	NA
HPCA	ENSG00000121905	0.384895	0.00e+00	0.00e+00	0.395	0.239	Malignant cells	NA
ANXA2	ENSG00000182718	0.384778	0.00e+00	0.00e+00	0.397	0.17	Malignant cells	NA
METAP2	ENSG00000111142	0.384306	0.00e+00	0.00e+00	0.949	0.884	Malignant cells	NA
GTSF1	ENSG00000170627	0.384154	0.00e+00	0.00e+00	0.941	0.853	Malignant cells	NA
LTBP4	ENSG00000090006	0.384122	0.00e+00	0.00e+00	0.385	0.155	Malignant cells	NA
DPM1	ENSG00000000419	0.383503	0.00e+00	0.00e+00	0.605	0.395	Malignant cells	NA
NUP107	ENSG00000111581	0.383237	0.00e+00	0.00e+00	0.552	0.325	Malignant cells	NA
AAMP	ENSG00000127837	0.383084	0.00e+00	0.00e+00	0.658	0.462	Malignant cells	NA
CALU	ENSG00000128595	0.382944	0.00e+00	0.00e+00	0.852	0.729	Malignant cells	NA
TRIM58	ENSG00000162722	0.382888	0.00e+00	0.00e+00	0.278	0.028	Malignant cells	NA
GCH1	ENSG00000131979	0.382095	0.00e+00	0.00e+00	0.251	0.038	Malignant cells	NA
ZWINT	ENSG00000122952	0.381782	0.00e+00	0.00e+00	0.717	0.62	Malignant cells	NA
VIMP	NA	0.381348	0.00e+00	0.00e+00	0.709	0.532	Malignant cells	NA
PHF20	ENSG00000025293	0.380491	0.00e+00	0.00e+00	0.617	0.426	Malignant cells	NA
RND2	ENSG00000108830	0.380084	0.00e+00	0.00e+00	0.653	0.449	Malignant cells	NA
HNRNPD	ENSG00000138668	0.37972	0.00e+00	0.00e+00	0.987	0.981	Malignant cells	NA
SRD5A3	ENSG00000128039	0.378452	0.00e+00	0.00e+00	0.373	0.132	Malignant cells	NA
CTNNBL1	ENSG00000132792	0.378286	0.00e+00	0.00e+00	0.617	0.42	Malignant cells	NA
SLC35B1	ENSG00000121073	0.376041	0.00e+00	0.00e+00	0.888	0.792	Malignant cells	NA
SPPL3	ENSG00000157837	0.375268	0.00e+00	0.00e+00	0.545	0.321	Malignant cells	NA
ANKRD12	ENSG00000101745	0.374591	0.00e+00	0.00e+00	0.701	0.532	Malignant cells	NA
HMGB3	ENSG00000029993	0.374119	0.00e+00	0.00e+00	0.933	0.909	Malignant cells	NA
SERINC3	ENSG00000132824	0.373673	0.00e+00	0.00e+00	0.514	0.292	Malignant cells	NA
DDX5	ENSG00000108654	0.373475	0.00e+00	0.00e+00	0.984	0.954	Malignant cells	NA
SLC8A1	ENSG00000183023	0.372898	4.94e-38	9.27e-34	0.547	0.471	Malignant cells	NA
ZNF664	ENSG00000179195	0.371669	0.00e+00	0.00e+00	0.677	0.502	Malignant cells	NA
SLC25A4	ENSG00000151729	0.370128	0.00e+00	0.00e+00	0.887	0.808	Malignant cells	NA
STK4	ENSG00000101109	0.370008	0.00e+00	0.00e+00	0.587	0.37	Malignant cells	NA
PHPT1	ENSG00000054148	0.36988	0.00e+00	0.00e+00	1	0.998	Malignant cells	NA
TIMP2	ENSG00000035862	0.369009	0.00e+00	0.00e+00	0.534	0.343	Malignant cells	NA
TSSC4	ENSG00000184281	0.36876	0.00e+00	0.00e+00	0.659	0.458	Malignant cells	NA
FAM217B	ENSG00000196227	0.367267	0.00e+00	0.00e+00	0.734	0.568	Malignant cells	NA
KDM5B	ENSG00000117139	0.367124	0.00e+00	0.00e+00	0.602	0.434	Malignant cells	NA
TIMM10B	ENSG00000132286	0.365878	0.00e+00	0.00e+00	0.453	0.219	Malignant cells	NA
WIPI1	ENSG00000070540	0.36438	0.00e+00	0.00e+00	0.292	0.067	Malignant cells	NA
CDKN1A	ENSG00000124762	0.364338	0.00e+00	0.00e+00	0.341	0.159	Malignant cells	NA
POLR2G	ENSG00000168002	0.36412	0.00e+00	0.00e+00	0.774	0.627	Malignant cells	NA
AUTS2	ENSG00000158321	0.363349	0.00e+00	0.00e+00	0.434	0.249	Malignant cells	NA
PSMG2	ENSG00000128789	0.362935	0.00e+00	0.00e+00	0.697	0.511	Malignant cells	NA
SEC61B	ENSG00000106803	0.362429	0.00e+00	0.00e+00	0.972	0.934	Malignant cells	NA
ISCU	ENSG00000136003	0.362135	0.00e+00	0.00e+00	0.951	0.891	Malignant cells	NA
TPD52L2	ENSG00000101150	0.361729	0.00e+00	0.00e+00	0.655	0.459	Malignant cells	NA

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Mechanism analysis of drug resistance-related DEGs for each cell type in the pre-treatment samples

Enrichment results for 5 known drug-resistant mechanisms in malignant cells and 1 known mechanism in TME cells.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)

Hallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group of pre-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

Hallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group of pre-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window.Complete files can be downloaded from the download section.)

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Mechanism analysis of drug resistance-related DEGs for each cell type in the post-treatment samples

Enrichment results for 5 known drug resistance mechanisms in malignant cells and 1 known mechanism in TME cells.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)

Hallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group of post-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

Hallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group of post-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

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Mechanism analysis of drug resistance-related DEGs for each cell type in one patient or cell lines

This dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. Enrichment results for 5 known drug resistance mechanisms in malignant cells and 1 known mechanism in TME cells are shown here.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)

Enrichment results for 5 known drug resistance mechanisms in malignant cells

Mechnism	Pval	FDR	Signature	Geneset	Overlap	Background	Cell type	Enriched Genes
Unusual Activation of Pro-survival Pathway	7.80e-13	3.90e-12	1398	781	99	23467	Malignant cells	AKAP1,ANXA2,AURKA,BCL11A,BCAT1,CTSL,CDK4,CDK6,CDKN1A,CIAPIN1,CTNNB1,DLK1,EPAS1,GSTP1,SLC2A1,HIF1A,HMGA1,ID1,MAGEA6,MAGEA12,NFE2L2,PARP1,PTEN,PTPN11,KRAS,RALBP1,RHOA,RPS6,SFRP1,SHC1,SOX2,SOX9,STMN1,TYMS,AKAP12,ANK2,BAG1,BID,HSPA5,BRD7,BTG1,CCNB1,CCND1,ALCAM,DKK1,DHFR,HSP90B1,EZH2,FANCA,FYN,GAPDH,GRB2,HDAC1,HMGN5,HNRNPU,HSPB1,IDH1,EIF4A1,ITGB1,KDM5B,LDHA,MAP3K1,MYCN,NFATC3,OAZ2,PDE4D,PSMG2,PTPN1,RAC1,RAP1B,HRAS,RAB22A,RRM1,HNRNPA1,RSU1,SDC2,SLAIN1,SMARCC1,SOD2,SRI,STK4,TMEM54,TOP1,YY1,UBE2C,USP14,YBX1,YEATS4,FASN,GNAS,CALR,RET,NPM1,CEBPD,MDK,PRKCA,TM7SF2,PMVK,QPRT
Aberration of the Drug's Therapeutic Target	8.70e-02	2.20e-01	1398	90	9	23467	Malignant cells	CDK4,CDK6,DHFR,EZH2,IDH1,SF3B1,RET,NPM1,COMT
Drug Inactivation by Structure Modification	2.20e-01	3.60e-01	1398	27	3	23467	Malignant cells	GSTP1,GSS,SOD2
Irregularity in Drug Uptake and Drug Efflux	9.00e-01	1.00e+00	1398	37	1	23467	Malignant cells	SLC2A1
Epigenetic Alteration of DNA, RNA or Protein	1.00e+00	1.00e+00	1398	455	9	23467	Malignant cells	H2AFY,EIF4G2,TYMS,EZH2,GAPDH,IDH1,MALAT1,RET,SMYD2

Hallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

Up-regulated Hallmark	Up-regulated KEGG	Up-regulated GO BP

Hallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

Down-regulated Hallmark	Down-regulated KEGG	Down-regulated GO BP

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MicroRNAs (miRNAs) regulating drug resistance-related DEGs for malignant cells

In the pre-treatment samples, the miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for malignant cells are shown here. If the gene does not have any miRNAs with a score greater than 80, it will not be shown. Here only the names of miRNAs with a score greater than 90 are shown, but some names will not be shown because of too many overlaps. (Complete files containing all datasets and cell types can be downloaded from the download section.)

In the post-treatment samples, the miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for Malignant cells are shown here. If the gene does not have any miRNAs with a score greater than 80, it will not be shown. Here only the names of miRNAs with a score greater than 90 are shown, but some names will not be shown because of too many overlaps. (Complete files containing all datasets and cell types can be downloaded from the download section.)

This dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for Malignant cells are shown here. Here only the names of miRNAs with a score greater than 80 are shown, but some names will not be shown because of too many overlaps. If the gene does not have any miRNAs with a score greater than 90, it will not be shown. (Complete files containing all datasets and cell types can be downloaded from the download section.)

Regulating up-regulated DEGs in resistant group	Regulating down-regulated DEGs in resistant group

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Motifs and transcription factors (TFs) regulating drug resistance-related DEGs for each cell type

In the pre-treatment samples, the motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)

In the post-treatment samples, the motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)

This dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. Motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)

Motifs and TFs regulating up-regulated DEGs in resistant group

motif	motif	NES	AUC	TF_highConf	Cell_type
	taipale_cyt_meth__E2F2_GCGCGCGCGYW_eDBD_repr	3.84	0.0626	E2F2 (directAnnotation).	Malignant cells
	taipale_tf_pairs__ETS2_RCCGGAAGTG_HT	3.75	0.0618	ETS2 (directAnnotation).	Malignant cells
	taipale_tf_pairs__E2F1_HES7_RRCRCGYGYNNNNSGCGCSN_CAP_repr	3.69	0.0613	E2F1; HES7 (directAnnotation).	Malignant cells
	kznf__ZNF25_Imbeault2017_OM_MEME	3.69	0.0613	ZNF25 (directAnnotation).	Malignant cells
	taipale_tf_pairs__ETV5_HES7_NNCACGTGNNNNCCGGAANN_CAP	3.36	0.0586	ETV5; HES7 (directAnnotation).	Malignant cells
	metacluster_191.3	3.21	0.0573	EHF; ELF1; ELF1; ELF1; ELF4; ELK1; ELK3; ELK3; ELK4; ELK4; ERF; ETS1; ETS2; ETV3; ETV4; ETV5; FEV; FEV; FLI1; FLI1; GABPA; GABPA; GABPA; GABPA; GABPA; GABPA; SPDEF; ZNF200 (directAnnotation). ELK1; ELK1; ELK3; ELK3; ELK4; ELK4; ETV1; ETV1; ETV4; ETV4; ETV4; ETV5; GABPA; GABPA (inferredBy_Orthology).	Malignant cells
	taipale_tf_pairs__HOXB2_ETV4_ACCGGAAATGAN_CAP	3.18	0.0571	ETV4; HOXB2 (directAnnotation).	Malignant cells
	kznf__ZFP57_Imbeault2017_RP_ChIP-seq	3.17	0.057	ZFP57 (directAnnotation).	Malignant cells
	taipale_tf_pairs__ELF2_NATGCGGAAGTR_HT	3.15	0.0569	ELF2 (directAnnotation).	Malignant cells
	kznf__ZNF777_Imbeault2017_RP_ChIP-seq	3.11	0.0565	ZNF777 (directAnnotation).	Malignant cells

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Motifs and TFs regulating down-regulated DEGs in resistant group

motif	motif	NES	AUC	TF_highConf	Cell_type
	hdpi__NFIX	3.88	0.0567	NFIX (directAnnotation).	Malignant cells
	transfac_pro__M03813	3.65	0.0553	POU3F3 (directAnnotation).	Malignant cells
	hocomoco__MNX1_HUMAN.H11MO.0.D	3.51	0.0543	MNX1 (directAnnotation).	Malignant cells
	hdpi__ZNF193	3.48	0.0541	ZSCAN9 (directAnnotation).	Malignant cells
	hdpi__FOXM1	3.35	0.0533	FOXM1 (directAnnotation).	Malignant cells
	transfac_pro__M06074	3.26	0.0527	ZNF732 (directAnnotation).	Malignant cells
	jaspar__MA1106.1	3.25	0.0527	HIF1A (directAnnotation).	Malignant cells
	hocomoco__OTX1_HUMAN.H11MO.0.D	3.25	0.0526	OTX1 (directAnnotation).	Malignant cells
	hocomoco__TYY2_HUMAN.H11MO.0.D	3.16	0.0521	YY2 (directAnnotation).	Malignant cells
	transfac_pro__M05768	3.11	0.0518	ZNF544 (directAnnotation).	Malignant cells

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Differentially expressed genes act as transcription factors

This table shows the differentially expressed genes that act as transcription factors. (Complete files can be downloaded from the download section.)

TF	motif	Expression	Cell type	Timepoint
HIF1A	jaspar__MA1106.1	down	Malignant cells	NA
ETV5	taipale_tf_pairs__ETV5_HES7_NNCACGTGNNNNCCGGAANN_CAP	down	Malignant cells	NA
ETV5	metacluster_191.3	down	Malignant cells	NA
FEV	metacluster_191.3	down	Malignant cells	NA

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1	"Sun X, Zhang Y, Li H, Zhou Y, Shi S, Chen Z, He X, Zhang H, Li F, Yin J, Mou M, Wang Y, Qiu Y, Zhu F. DRESIS: the first comprehensive landscape of drug resistance information. Nucleic Acids Res. 2023 Jan 6;51(D1):D1263-D1275. doi: 10.1093/nar/gkac812. PMID: 36243960; PMCID: PMC9825618."
2	"Wishart DS, Feunang YD, Guo AC, Lo EJ, Marcu A, Grant JR, Sajed T, Johnson D, Li C, Sayeeda Z, Assempour N, Iynkkaran I, Liu Y, Maciejewski A, Gale N, Wilson A, Chin L, Cummings R, Le D, Pon A, Knox C, Wilson M. DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. doi: 10.1093/nar/gkx1037. PMID: 29126136; PMCID: PMC5753335."