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Virtual screening for R-groups, including predicted pIC50 contributions, within large structural databases, using Topomer CoMFA.
J Chem Inf Model. 2008 Nov;48(11):2180-95. doi: 10.1021/ci8001556.
J Chem Inf Model. 2008.
PMID: 18956863
AllChem: generating and searching 10(20) synthetically accessible structures.
Cramer RD, Soltanshahi F, Jilek R, Campbell B.
Cramer RD, et al. Among authors: soltanshahi f.
J Comput Aided Mol Des. 2007 Jun;21(6):341-50. doi: 10.1007/s10822-006-9093-8. Epub 2007 Jan 26.
J Comput Aided Mol Des. 2007.
PMID: 17253118
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Multistep Reaction Based De Novo Drug Design: Generating Synthetically Feasible Design Ideas.
Masek BB, Baker DS, Dorfman RJ, DuBrucq K, Francis VC, Nagy S, Richey BL, Soltanshahi F.
Masek BB, et al. Among authors: soltanshahi f.
J Chem Inf Model. 2016 Apr 25;56(4):605-20. doi: 10.1021/acs.jcim.5b00697. Epub 2016 Apr 14.
J Chem Inf Model. 2016.
PMID: 27031173
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OptDesign: extending optimizable k-dissimilarity selection to combinatorial library design.
Clark RD, Kar J, Akella L, Soltanshahi F.
Clark RD, et al. Among authors: soltanshahi f.
J Chem Inf Comput Sci. 2003 May-Jun;43(3):829-36. doi: 10.1021/ci025662h.
J Chem Inf Comput Sci. 2003.
PMID: 12767140
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Visualizing substructural fingerprints.
Clark RD, Patterson DE, Soltanshahi F, Blake JF, Matthew JB.
Clark RD, et al. Among authors: soltanshahi f.
J Mol Graph Model. 2000 Aug-Oct;18(4-5):404-11, 527-32. doi: 10.1016/s1093-3263(00)00065-6.
J Mol Graph Model. 2000.
PMID: 11143558
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Balancing focused combinatorial libraries based on multiple GPCR ligands.
Soltanshahi F, Mansley TE, Choi S, Clark RD.
Soltanshahi F, et al.
J Comput Aided Mol Des. 2006 Jul-Aug;20(7-8):529-38. doi: 10.1007/s10822-006-9076-9. Epub 2006 Oct 13.
J Comput Aided Mol Des. 2006.
PMID: 17054016
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11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, van den Broek K, Epple M, Kuhn H, Truszkowski A, Zielesny A, Fraaije JH, Gracia RS, Kast SM, Bulusu KC, Bender A, Yosipof A, Nahum O, Senderowitz H, Krotzky T, Schulz R, Wolber G, Bietz S, Rarey M, Zimmermann MO, Lange A, Ruff M, Heidrich J, Onlia I, Exner TE, Boeckler FM, Bermudez M, Firaha DS, Hollóczki O, Kirchner B, Tautermann CS, Volkamer A, Eid S, Turk S, Rippmann F, Fulle S, Saleh N, Saladino G, Gervasio FL, Haensele E, Banting L, Whitley DC, Oliveira Santos JS, Bureau R, Clark T, Sandmann A, Lanig H, Kibies P, Heil J, Hoffgaard F, Frach R, Engel J, Smith S, Basu D, Rauh D, Kohlbacher O, Boeckler FM, Essex JW, Bodnarchuk MS, Ross GA, Finkelmann AR, Göller AH, Schneider G, Husch T, Schütter C, Balducci A, Korth M, Ntie-Kang F, Günther S, Sippl W, Mbaze LM, Ntie-Kang F, Simoben CV, Lifongo LL, Ntie-Kang F, Judson P, Barilla J, Lokajíček MV, Pisaková H, Simr P, Kireeva N, Petrov A, Ostroumov D, Solovev VP, Pervov VS, Friedrich NO, Sommer K, Rarey M, Kirchmair J, Proschak E, Weber J, Moser D, Kalinowski L, Achenbach J…
See abstract for full author list ➔
Fechner U, et al. Among authors: soltanshahi f.
J Cheminform. 2016 Apr 26;8(Suppl 1):18. doi: 10.1186/s13321-016-0119-5.
J Cheminform. 2016.
PMID: 29270804
Free PMC article.
No abstract available.
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