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Items: 1 to 50 of 179

1.

Effectiveness of CASE Ultra Expert System in Evaluating Adverse Effects of Drugs.

Saiakhov R, Chakravarti S, Klopman G.

Mol Inform. 2013 Jan;32(1):87-97. doi: 10.1002/minf.201200081. Epub 2013 Jan 14.

PMID:
27481026
2.

Optimizing predictive performance of CASE Ultra expert system models using the applicability domains of individual toxicity alerts.

Chakravarti SK, Saiakhov RD, Klopman G.

J Chem Inf Model. 2012 Oct 22;52(10):2609-18. doi: 10.1021/ci300111r. Epub 2012 Sep 18.

PMID:
22947043
3.

Benchmark performance of MultiCASE Inc. software in Ames mutagenicity set.

Saiakhov RD, Klopman G.

J Chem Inf Model. 2010 Sep 27;50(9):1521. doi: 10.1021/ci1000899.

PMID:
20695480
4.
5.

A structural analysis of the differential cytotoxicity of chemicals in the NCI-60 cancer cell lines.

Chakravarti SK, Klopman G.

Bioorg Med Chem. 2008 Apr 1;16(7):4052-63. doi: 10.1016/j.bmc.2008.01.024. Epub 2008 Jan 19.

PMID:
18243714
6.

MultiCASE Expert Systems and the REACH Initiative.

Saiakhov RD, Klopman G.

Toxicol Mech Methods. 2008;18(2-3):159-75. doi: 10.1080/15376510701857460.

PMID:
20020912
7.

Data analysis and alternative modelling of MITI-I aerobic biodegradation.

Sedykh A, Klopman G.

SAR QSAR Environ Res. 2007 Oct-Dec;18(7-8):693-709.

PMID:
18038368
8.

A comprehensive model for reproductive and developmental toxicity hazard identification: II. Construction of QSAR models to predict activities of untested chemicals.

Matthews EJ, Kruhlak NL, Daniel Benz R, Ivanov J, Klopman G, Contrera JF.

Regul Toxicol Pharmacol. 2007 Mar;47(2):136-55. Epub 2006 Dec 18.

PMID:
17175082
9.

A structural analogue approach to the prediction of the octanol-water partition coefficient.

Sedykh AY, Klopman G.

J Chem Inf Model. 2006 Jul-Aug;46(4):1598-603.

PMID:
16859291
10.

Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52.

Netzeva TI, Worth A, Aldenberg T, Benigni R, Cronin MT, Gramatica P, Jaworska JS, Kahn S, Klopman G, Marchant CA, Myatt G, Nikolova-Jeliazkova N, Patlewicz GY, Perkins R, Roberts D, Schultz T, Stanton DW, van de Sandt JJ, Tong W, Veith G, Yang C.

Altern Lab Anim. 2005 Apr;33(2):155-73. No abstract available.

PMID:
16180989
12.

Searching for an enhanced predictive tool for mutagenicity.

Klopman G, Zhu H, Fuller MA, Saiakhov RD.

SAR QSAR Environ Res. 2004 Aug;15(4):251-63.

PMID:
15370416
13.

ESP: a method to predict toxicity and pharmacological properties of chemicals using multiple MCASE databases.

Klopman G, Chakravarti SK, Zhu H, Ivanov JM, Saiakhov RD.

J Chem Inf Comput Sci. 2004 Mar-Apr;44(2):704-15.

PMID:
15032553
14.

MCASE study of the multidrug resistance reversal activity of propafenone analogs.

Klopman G, Zhu H, Ecker G, Chiba P.

J Comput Aided Mol Des. 2003 May-Jun;17(5-6):291-7.

PMID:
14635722
15.

In-silico screening of high production volume chemicals for mutagenicity using the MCASE QSAR expert system.

Klopman G, Chakravarti SK, Harris N, Ivanov J, Saiakhov RD.

SAR QSAR Environ Res. 2003 Apr;14(2):165-80.

PMID:
12747573
16.

Multiple computer-automated structure evaluation study of aquatic toxicity. III. Vibrio fischeri.

Klopman G, Stuart SE.

Environ Toxicol Chem. 2003 Mar;22(3):466-72.

PMID:
12627631
17.
18.
19.

ADME evaluation. 2. A computer model for the prediction of intestinal absorption in humans.

Klopman G, Stefan LR, Saiakhov RD.

Eur J Pharm Sci. 2002 Dec;17(4-5):253-63.

PMID:
12453615
20.

An MCASE approach to the search of a cure for Parkinson's Disease.

Klopman G, Sedykh A.

BMC Pharmacol. 2002 Apr 2;2:8.

21.

Structure-specificity relationships for haloalkane dehalogenases.

Damborský J, Rorije E, Jesenská A, Nagata Y, Klopman G, Peijnenburg WJ.

Environ Toxicol Chem. 2001 Dec;20(12):2681-9.

PMID:
11764149
22.
23.

Estimation of the aqueous solubility of organic molecules by the group contribution approach.

Klopman G, Zhu H.

J Chem Inf Comput Sci. 2001 Mar-Apr;41(2):439-45.

PMID:
11277734
24.

Modeling the mouse lymphoma forward mutational assay: the Gene-Tox program database.

Grant SG, Zhang YP, Klopman G, Rosenkranz HS.

Mutat Res. 2000 Feb 16;465(1-2):201-29.

PMID:
10708987
25.

Chemical diversity approach for evaluating mechanistic relatedness among toxicological phenomena.

Pollack N, Cunningham AR, Klopman G, Rosenkranz HS.

SAR QSAR Environ Res. 1999 Dec;10(6):533-43.

PMID:
10674291
26.

SOS chromotest and mutagenicity in Salmonella: evidence for mechanistic differences.

Rosenkranz HS, Mersch-Sundermann V, Klopman G.

Mutat Res. 1999 Dec 16;431(1):31-8.

PMID:
10656484
27.

Structural determinants of developmental toxicity in hamsters.

Gómez J, Macina OT, Mattison DR, Zhang YP, Klopman G, Rosenkranz HS.

Teratology. 1999 Oct;60(4):190-205.

PMID:
10508972
28.

Development, characterization and application of predictive-toxicology models.

Rosenkranz HS, Cunningham AR, Zhang YP, Claycamp HG, Macina OT, Sussman NB, Grant SG, Klopman G.

SAR QSAR Environ Res. 1999;10(2-3):277-98. Review.

PMID:
10491854
29.

Applications of the case/multicase SAR method to environmental and public health situations.

Rosenkranz HS, Cunningham AR, Zhang YP, Klopman G.

SAR QSAR Environ Res. 1999;10(2-3):263-76. Review.

PMID:
10491853
30.

The mysterious Mauritian red nectar: a selective toxicant?

Rosenkranz HS, Klopman G.

Naturwissenschaften. 1999 Aug;86(8):404-5.

PMID:
10481828
32.

Thalidomide and metabolites: indications of the absence of 'genotoxic' carcinogenic potentials.

Zhu X, Zhang YP, Klopman G, Rosenkranz HS.

Mutat Res. 1999 Mar 10;425(1):153-67.

PMID:
10082926
33.

Evaluation and application of models for the prediction of ready biodegradability in the MITI-I test.

Rorije E, Loonen H, Müller M, Klopman G, Peijnenburg WJ.

Chemosphere. 1999 Mar;38(6):1409-17.

PMID:
10070729
34.

Relationship between allergic contact dermatitis and electrophilicity.

Rosenkranz HS, Klopman G, Zhang YP, Graham C, Karol MH.

Environ Health Perspect. 1999 Feb;107(2):129-32.

35.

Human developmental toxicity and mutagenesis.

Rosenkranz HS, Zhang YP, Macina OT, Mattison DR, Klopman G.

Mutat Res. 1998 Dec 3;422(2):347-50.

PMID:
9838188
36.

The Development and Characterisation of a Structure-activity Relationship Model of the Draize Eye Irritation Test.

Rosenkranz HS, Zhang YP, Klopman G.

Altern Lab Anim. 1998 Nov-Dec;26(6):779-809.

PMID:
26042582
37.

Studies on the potential for genotoxic carcinogenicity of fragrances and other chemicals.

Rosenkranz HS, Zhang YP, Klopman G.

Food Chem Toxicol. 1998 Aug;36(8):687-96.

PMID:
9734719
38.

Identification of structural features and associated mechanisms of action for carcinogens in rats.

Cunningham AR, Klopman G, Rosenkranz HS.

Mutat Res. 1998 Aug 31;405(1):9-27.

PMID:
9729240
39.

Identification of 'genotoxic' and 'non-genotoxic' alerts for cancer in mice: the carcinogenic potency database.

Cunningham AR, Rosenkranz HS, Zhang YP, Klopman G.

Mutat Res. 1998 Feb 26;398(1-2):1-17.

PMID:
9626960
40.
41.
42.

Activity of new quinolones against intracellular Mycobacterium avium in human monocytes.

Venkataprasad N, Jacobs MR, Johnson JL, Klopman G, Ellner JJ.

J Antimicrob Chemother. 1997 Dec;40(6):841-5. Erratum in: J Antimicrob Chemother 1998 Jun;41(6):674.

PMID:
9462436
43.

The MultiCASE program II. Baseline activity identification algorithm (BAIA).

Klopman G.

J Chem Inf Comput Sci. 1998 Jan-Feb;38(1):78-81. No abstract available.

PMID:
9461645
44.
45.

Quantitative structure-activity relationship of multidrug resistance reversal agents.

Klopman G, Shi LM, Ramu A.

Mol Pharmacol. 1997 Aug;52(2):323-34.

PMID:
9271356
46.
47.

A dichotomy in the lipophilicity of natural estrogens, xenoestrogens, and phytoestrogens.

Cunningham AR, Klopman G, Rosenkranz HS.

Environ Health Perspect. 1997 Apr;105 Suppl 3:665-8.

48.

Structural determinants associated with risk of human developmental toxicity.

Ghanooni M, Mattison DR, Zhang YP, Macina OT, Rosenkranz HS, Klopman G.

Am J Obstet Gynecol. 1997 Apr;176(4):799-805; discussion 805-6.

PMID:
9125603
50.

META. 3. A genetic algorithm for metabolic transform priorities optimization.

Klopman G, Tu M, Talafous J.

J Chem Inf Comput Sci. 1997 Mar-Apr;37(2):329-34.

PMID:
9157102

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