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Items: 35

1.

Chemistry, information and Frank: a tribute to Frank Brown.

Agrafiotis DK, Holloway MK, Johnson SA, Reynolds CH, Stouch TR, Tropsha A, Waller CL.

J Comput Aided Mol Des. 2018 Jul;32(7):723-729. doi: 10.1007/s10822-018-0135-9. Epub 2018 Jul 23. No abstract available.

PMID:
30039202
2.

Data to Decisions: Creating a Culture of Model-Driven Drug Discovery.

Brown FK, Kopti F, Chang CZ, Johnson SA, Glick M, Waller CL.

AAPS J. 2017 Sep;19(5):1255-1263. doi: 10.1208/s12248-017-0124-2. Epub 2017 Aug 2.

PMID:
28770387
3.

Microplastics in the Antarctic marine system: An emerging area of research.

Waller CL, Griffiths HJ, Waluda CM, Thorpe SE, Loaiza I, Moreno B, Pacherres CO, Hughes KA.

Sci Total Environ. 2017 Nov 15;598:220-227. doi: 10.1016/j.scitotenv.2017.03.283. Epub 2017 Apr 22. Review.

4.

Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition.

Verras A, Waller CL, Gedeck P, Green DV, Kogej T, Raichurkar A, Panda M, Shelat AA, Clark J, Guy RK, Papadatos G, Burrows J.

J Chem Inf Model. 2017 Mar 27;57(3):445-453. doi: 10.1021/acs.jcim.6b00572. Epub 2017 Mar 17.

PMID:
28257198
5.

Fragment library design: using cheminformatics and expert chemists to fill gaps in existing fragment libraries.

Kutchukian PS, So SS, Fischer C, Waller CL.

Methods Mol Biol. 2015;1289:43-53. doi: 10.1007/978-1-4939-2486-8_5.

PMID:
25709032
6.

Four disruptive strategies for removing drug discovery bottlenecks.

Ekins S, Waller CL, Bradley MP, Clark AM, Williams AJ.

Drug Discov Today. 2013 Mar;18(5-6):265-71. doi: 10.1016/j.drudis.2012.10.007. Epub 2012 Oct 23.

PMID:
23098820
7.

Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity properties.

Gupta RR, Gifford EM, Liston T, Waller CL, Hohman M, Bunin BA, Ekins S.

Drug Metab Dispos. 2010 Nov;38(11):2083-90. doi: 10.1124/dmd.110.034918. Epub 2010 Aug 6.

PMID:
20693417
8.

Chemical space: missing pieces in cheminformatics.

Ekins S, Gupta RR, Gifford E, Bunin BA, Waller CL.

Pharm Res. 2010 Oct;27(10):2035-9. doi: 10.1007/s11095-010-0229-0. Epub 2010 Aug 4.

PMID:
20683645
9.

Screening for Chlamydia trachomatis and Neisseria gonorrhoeae among adolescents in Family Court, Philadelphia, Pennsylvania.

Johnson CC, Jones EH, Goldberg M, Asbel LE, Salmon ME, Waller CL.

Sex Transm Dis. 2008 Nov;35(11 Suppl):S24-7. doi: 10.1097/OLQ.0b013e318177ec4a.

PMID:
18607316
10.

Strategies to support drug discovery through integration of systems and data.

Waller CL, Shah A, Nolte M.

Drug Discov Today. 2007 Aug;12(15-16):634-9. Epub 2007 Aug 1. Review.

PMID:
17706544
11.

Prediction of drug-like molecular properties: modeling cytochrome p450 interactions.

Jalaie M, Arimoto R, Gifford E, Schefzick S, Waller CL.

Methods Mol Biol. 2004;275:449-520.

PMID:
15141126
13.

Recent advances in molecular diversity.

Waller CL.

Mol Divers. 2002;5(4):173-4. Review. No abstract available.

PMID:
12549669
14.

Recent advances in molecular diversity.

Waller CL.

J Comput Aided Mol Des. 2002 May-Jun;16(5-6):299-300. No abstract available.

PMID:
12489679
15.

Polarizability fields for use in three-dimensional quantitative structure-activity relationship (3D-QSAR).

Bradley M, Waller CL.

J Chem Inf Comput Sci. 2001 Sep-Oct;41(5):1301-7.

PMID:
11604030
16.

Progress in predicting human ADME parameters in silico.

Ekins S, Waller CL, Swaan PW, Cruciani G, Wrighton SA, Wikel JH.

J Pharmacol Toxicol Methods. 2000 Jul-Aug;44(1):251-72. Review.

PMID:
11274894
18.

Percutaneous absorption and disposition of [14C]chlordecone in young and adult female rats.

Heatherington AC, Fisher HL, Sumler MR, Waller CL, Shah PV, Hall LL.

Environ Res. 1998 Nov;79(2):138-55.

PMID:
9841813
19.

Molecular determinants of hormone mimicry: halogenated aromatic hydrocarbon environmental agents.

McKinney JD, Waller CL.

J Toxicol Environ Health B Crit Rev. 1998 Jan-Mar;1(1):27-58. Review.

PMID:
9487092
20.

Ligand-based identification of environmental estrogens.

Waller CL, Oprea TI, Chae K, Park HK, Korach KS, Laws SC, Wiese TE, Kelce WR, Gray LE Jr.

Chem Res Toxicol. 1996 Dec;9(8):1240-8.

PMID:
8951225
21.

A pharmacokinetic model of anaerobic in vitro carbon tetrachloride metabolism.

Andersen NJ, Waller CL, Adamovic JB, Thompson DJ, Allis JW, Andersen ME, Simmons JE.

Chem Biol Interact. 1996 Jun;101(1):13-31.

PMID:
8665616
23.

Three-dimensional quantitative structure--activity relationships for androgen receptor ligands.

Waller CL, Juma BW, Gray LE Jr, Kelce WR.

Toxicol Appl Pharmacol. 1996 Apr;137(2):219-27.

PMID:
8661347
24.

Modeling the cytochrome P450-mediated metabolism of chlorinated volatile organic compounds.

Waller CL, Evans MV, McKinney JD.

Drug Metab Dispos. 1996 Feb;24(2):203-10.

PMID:
8742232
26.
29.

3D-QSAR of human immunodeficiency virus (I) protease inhibitors. III. Interpretation of CoMFA results.

Opera TI, Waller CL, Marshall GR.

Drug Des Discov. 1994 Jul;12(1):29-51.

PMID:
7578806
30.

Effects of [(N-alkyl-1,3-dihydro-1-oxoisoindolin-5-yl)oxy]alkanoic acids on chloride transport in primary astroglial cultures.

Waller CL, Wyrick SD, Park HM, Kemp WE, Smith FT.

J Pharm Sci. 1994 Apr;83(4):571-6.

PMID:
8046617
31.

Polychlorinated biphenyls as hormonally active structural analogues.

McKinney JD, Waller CL.

Environ Health Perspect. 1994 Mar;102(3):290-7. Review.

33.
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