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1.

Inflation of correlation in the pursuit of drug-likeness.

Kenny PW, Montanari CA.

J Comput Aided Mol Des. 2013 Jan;27(1):1-13. doi: 10.1007/s10822-012-9631-5. Epub 2013 Jan 10.

PMID:
23306465
2.

The impact of physicochemical and molecular properties in drug design: navigation in the "drug-like" chemical space.

Vallianatou T, Giaginis C, Tsantili-Kakoulidou A.

Adv Exp Med Biol. 2015;822:187-94. doi: 10.1007/978-3-319-08927-0_21.

PMID:
25416989
3.

Drug-likeness and increased hydrophobicity of commercially available compound libraries for drug screening.

Zuegg J, Cooper MA.

Curr Top Med Chem. 2012;12(14):1500-13. Review.

PMID:
22827520
4.

inSARa: intuitive and interactive SAR interpretation by reduced graphs and hierarchical MCS-based network navigation.

Wollenhaupt S, Baumann K.

J Chem Inf Model. 2014 Jun 23;54(6):1578-95. doi: 10.1021/ci4007547. Epub 2014 Jun 4.

PMID:
24850242
5.

Improving drug candidates by design: a focus on physicochemical properties as a means of improving compound disposition and safety.

Meanwell NA.

Chem Res Toxicol. 2011 Sep 19;24(9):1420-56. doi: 10.1021/tx200211v. Epub 2011 Jul 26. Review.

PMID:
21790149
6.

The graphical representation of ADME-related molecule properties for medicinal chemists.

Ritchie TJ, Ertl P, Lewis R.

Drug Discov Today. 2011 Jan;16(1-2):65-72. doi: 10.1016/j.drudis.2010.11.002. Epub 2010 Nov 10. Review.

PMID:
21074634
7.

Investigation of the relationship between topology and selectivity for druglike molecules.

Yang Y, Chen H, Nilsson I, Muresan S, Engkvist O.

J Med Chem. 2010 Nov 11;53(21):7709-14. doi: 10.1021/jm1008456.

PMID:
20942392
8.

In silico physicochemical parameter predictions.

Wenlock MC, Barton P.

Mol Pharm. 2013 Apr 1;10(4):1224-35. doi: 10.1021/mp300537k. Epub 2013 Jan 24.

PMID:
23305561
9.

Improving compound quality through in vitro and in silico physicochemical profiling.

van de Waterbeemd H.

Chem Biodivers. 2009 Nov;6(11):1760-6. doi: 10.1002/cbdv.200900056.

PMID:
19937820
10.

Overview on the Rule of Five.

Pollastri MP.

Curr Protoc Pharmacol. 2010 Jun;Chapter 9:Unit 9.12. doi: 10.1002/0471141755.ph0912s49.

PMID:
22294375
11.

Drug target predictions based on heterogeneous graph inference.

Wang W, Yang S, Li J.

Pac Symp Biocomput. 2013:53-64.

12.

An integrated drug-likeness study for bicyclic privileged structures: from physicochemical properties to in vitro ADME properties.

Han C, Zhang J, Zheng M, Xiao Y, Li Y, Liu G.

Mol Divers. 2011 Nov;15(4):857-76. doi: 10.1007/s11030-011-9317-2. Epub 2011 May 3.

PMID:
21538133
13.

Can we discover pharmacological promiscuity early in the drug discovery process?

Peters JU, Hert J, Bissantz C, Hillebrecht A, Gerebtzoff G, Bendels S, Tillier F, Migeon J, Fischer H, Guba W, Kansy M.

Drug Discov Today. 2012 Apr;17(7-8):325-35. doi: 10.1016/j.drudis.2012.01.001. Epub 2012 Jan 16. Review.

PMID:
22269136
14.

Overview of determination of biopharmaceutical properties for development candidate selection.

Yazdanian M.

Curr Protoc Pharmacol. 2013 Mar;Chapter 9:Unit9.17. doi: 10.1002/0471141755.ph0917s60.

PMID:
23456615
15.

Theoretical property predictions.

Livingstone DJ.

Curr Top Med Chem. 2003;3(10):1171-92. Review.

PMID:
12769715
16.

Analytical tools for the physicochemical profiling of drug candidates to predict absorption/distribution.

Henchoz Y, Bard B, Guillarme D, Carrupt PA, Veuthey JL, Martel S.

Anal Bioanal Chem. 2009 Jun;394(3):707-29. doi: 10.1007/s00216-009-2634-y. Epub 2009 Feb 2. Review.

PMID:
19184676
17.

Solubility and permeability measurement and applications in drug discovery.

Burton PS, Goodwin JT.

Comb Chem High Throughput Screen. 2010 Feb;13(2):101-11. Review.

PMID:
20053165
18.

Recent advances in physicochemical and ADMET profiling in drug discovery.

Wang J, Skolnik S.

Chem Biodivers. 2009 Nov;6(11):1887-99. doi: 10.1002/cbdv.200900117. Review.

PMID:
19937823
19.

Charting, navigating, and populating natural product chemical space for drug discovery.

Lachance H, Wetzel S, Kumar K, Waldmann H.

J Med Chem. 2012 Jul 12;55(13):5989-6001. doi: 10.1021/jm300288g. Epub 2012 May 11. Review.

PMID:
22537178
20.

Structural alert/reactive metabolite concept as applied in medicinal chemistry to mitigate the risk of idiosyncratic drug toxicity: a perspective based on the critical examination of trends in the top 200 drugs marketed in the United States.

Stepan AF, Walker DP, Bauman J, Price DA, Baillie TA, Kalgutkar AS, Aleo MD.

Chem Res Toxicol. 2011 Sep 19;24(9):1345-410. doi: 10.1021/tx200168d. Epub 2011 Jul 11. Review.

PMID:
21702456
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