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Publikationer i urvalet

16 träffar

Bibliografisk träff 2023-07-19

A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.

Sutherland JJ, Yonchev D, Fekete A, Urban L.

Nat Commun · research support, non-u.s. gov't; research-article; journal article · DOI 10.1038/s41467-023-40064-9

Bibliografisk träff 2020-07-27

Structure-Activity Relationship Studies of Retro-1 Analogues against Shiga Toxin.

Abdelkafi H, Michau A, Pons V, Ngadjeua F, Clerget A, Ait Ouarab L, Buisson DA, Montoir D, Caramelle L, Gillet D, Barbier J, Cintrat JC.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/acs.jmedchem.0c00298

Bibliografisk träff 2015-10-27

Synthesis and Evaluation of a Radioiodinated Tracer with Specificity for Poly(ADP-ribose) Polymerase-1 (PARP-1) in Vivo.

Zmuda F, Malviya G, Blair A, Boyd M, Chalmers AJ, Sutherland A, Pimlott SL.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/acs.jmedchem.5b01324

Bibliografisk träff 2011-12-15

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

Liu Z, Shi Q, Ding D, Kelly R, Fang H, Tong W.

PLoS Comput Biol · research support, u.s. gov't, p.h.s.; research-article; journal article · DOI 10.1371/journal.pcbi.1002310

Bibliografisk träff 2010-10-21

Experimental solubility profiling of marketed CNS drugs, exploring solubility limit of CNS discovery candidate.

Alelyunas YW, Empfield JR, McCarthy D, Spreen RC, Bui K, Pelosi-Kilby L, Shen C.

Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2010.10.068

Bibliografisk träff 2010-02-01

Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.

Varma MV, Obach RS, Rotter C, Miller HR, Chang G, Steyn SJ, El-Kattan A, Troutman MD.

J Med Chem · journal article · DOI 10.1021/jm901371v

Bibliografisk träff 2009-12-21

Neural computational prediction of oral drug absorption based on CODES 2D descriptors.

Guerra A, Campillo NE, Páez JA.

Eur J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.ejmech.2009.11.034

Bibliografisk träff 2009-08-01

Physicochemical determinants of human renal clearance.

Varma MV, Feng B, Obach RS, Troutman MD, Chupka J, Miller HR, El-Kattan A.

J Med Chem · journal article · DOI 10.1021/jm900403j

Bibliografisk träff 2008-04-21

Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.

Obach RS, Lombardo F, Waters NJ.

Drug Metab Dispos · journal article · DOI 10.1124/dmd.108.020479

Bibliografisk träff 2004-02-01

Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics.

Lombardo F, Obach RS, Shalaeva MY, Gao F.

J Med Chem · journal article · DOI 10.1021/jm030408h

Bibliografisk träff 2002-06-01

Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data.

Lombardo F, Obach RS, Shalaeva MY, Gao F.

J Med Chem · journal article · DOI 10.1021/jm0200409

Bibliografisk träff 2001-07-01

ElogD(oct): a tool for lipophilicity determination in drug discovery. 2. Basic and neutral compounds.

Lombardo F, Shalaeva MY, Tupper KA, Gao F.

J Med Chem · journal article · DOI 10.1021/jm0100990

Bibliografisk träff 2000-07-01

ElogPoct: a tool for lipophilicity determination in drug discovery.

Lombardo F, Shalaeva MY, Tupper KA, Gao F, Abraham MH.

J Med Chem · journal article · DOI 10.1021/jm0000822

Bibliografisk träff 2000-06-01

Prediction of drug solubility from Monte Carlo simulations.

Jorgensen WL, Duffy EM.

Bioorg Med Chem Lett · research support, u.s. gov't, non-p.h.s.; journal article · DOI 10.1016/s0960-894x(00)00172-4

Bibliografisk träff 1984-12-01

Functional group contributions to drug-receptor interactions.

Andrews PR, Craik DJ, Martin JL.

J Med Chem · comparative study; journal article · DOI 10.1021/jm00378a021

Bibliografisk träff 1977-10-01

Quinazolines and 1,4-benzodiazepines. 82.1 5-Pyrimidyl-and 5-pyrazinylbenzodiazepines.

Archer GA, Kalish RI, Ning RY, Sluboski BC, Stempel A, Steppe TV, Sternbach LH.

J Med Chem · journal article · DOI 10.1021/jm00220a017