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Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: knowing the knowns.
Digles D, Zdrazil B, Neefs JM, Van Vlijmen H, Herhaus C, Caracoti A, Brea J, Roibás B, Loza MI, Queralt-Rosinach N, Furlong LI, Gaulton A, Bartek L, Senger S, Chichester C, Engkvist O, Evelo CT, Franklin NI, Marren D, Ecker GF, Jacoby E. Digles D, et al. Medchemcomm. 2016 Jun 1;7(6):1237-1244. doi: 10.1039/c6md00065g. Epub 2016 May 11. Medchemcomm. 2016. PMID: 27774140 Free PMC article.
The application of the open pharmacological concepts triple store (open PHACTS) to support drug discovery research.
Ratnam J, Zdrazil B, Digles D, Cuadrado-Rodriguez E, Neefs JM, Tipney H, Siebes R, Waagmeester A, Bradley G, Chau CH, Richter L, Brea J, Evelo CT, Jacoby E, Senger S, Loza MI, Ecker GF, Chichester C. Ratnam J, et al. PLoS One. 2014 Dec 18;9(12):e115460. doi: 10.1371/journal.pone.0115460. eCollection 2014. PLoS One. 2014. PMID: 25522365 Free PMC article.
Use cases presented herein cover 1) the comprehensive identification of chemical matter for a dopamine receptor drug discovery program 2) the identification of compounds active against all targets in the Epidermal growth factor receptor (ErbB) signaling pathway that have a releva …
Use cases presented herein cover 1) the comprehensive identification of chemical matter for a dopamine receptor drug discovery program 2) th …