1. UniProt Consortium. UniProt: a worldwide hub of protein knowledge. Nucleic acids research. 2019 Jan 8;47(D1):D506-15.
2. Banerjee P, Eckert AO, Schrey AK, Preissner R. ProTox-II: a webserver for the prediction of toxicity of chemicals. Nucleic acids research. 2018 Jul 2;46(W1):W257-63.
3. Daina A, Michielin O, Zoete V. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of natural small molecules. Scientific reports. 2017 Mar 3;7(1):42717.
4. Daina A, Michielin O, Zoete V. SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of natural small molecules. Nucleic acids research. 2019 Jul 2;47(W1):W357-64.
5. Nickel J, Gohlke BO, Erehman J, Banerjee P, Rong WW, Goede A, Dunkel M, Preissner R. SuperPred: update on drug classification and target prediction. Nucleic acids research. 2014 Jul 1;42(W1):W26-31.
6. Shaikh F, Tai HK, Desai N, Siu SW. LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds. Journal of Cheminformatics. 2021 Dec;13(1):1-2.
7. Greenwood JR, Calkins D, Sullivan AP, Shelley JC. Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution. Journal of computer-aided molecular design. 2010 Jun;24(6-7):591-604.
8. Shelley JC, Cholleti A, Frye LL, Greenwood JR, Timlin MR, Uchimaya M. Epik: a software program for pK a prediction and protonation state generation for drug-like molecules. Journal of computer-aided molecular design. 2007 Dec;21:681-91.
9. Bowers KJ, Chow E, Xu H, Dror RO, Eastwood MP, Gregersen BA, Klepeis JL, Kolossvary I, Moraes MA, Sacerdoti FD, Salmon JK. Scalable algorithms for molecular dynamics simulations on commodity clusters. InProceedings of the 2006 ACM/IEEE Conference on Supercomputing 2006 Nov 11 (pp. 84-es).
10. Liu X, Ouyang S, Yu B, Liu Y, Huang K, Gong J, Zheng S, Li Z, Li H, Jiang H. PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucleic acids research. 2010 Jul 1;38(suppl_2):W609-14.
11. Wang X, Shen Y, Wang S, Li S, Zhang W, Liu X, Lai L, Pei J, Li H. PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database. Nucleic acids research. 2017 Jul 3;45(W1):W356-60.
12. Gallo K, Goede A, Preissner R, Gohlke BO. SuperPred 3.0: drug classification and target prediction—a machine learning approach. Nucleic Acids Research. 2022 Jul 5;50(W1):W726-31.