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Items: 1 to 20 of 46

1.

Modeling acute toxicity of chemicals to Daphnia magna: a probabilistic neural network approach.

Kaiser KL, Niculescu SP.

Environ Toxicol Chem. 2001 Feb;20(2):420-31.

PMID:
11351444
2.

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
3.

Drug-like properties and the causes of poor solubility and poor permeability.

Lipinski CA.

J Pharmacol Toxicol Methods. 2000 Jul-Aug;44(1):235-49. Review.

PMID:
11274893
4.

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings.

Lipinski CA, Lombardo F, Dominy BW, Feeney PJ.

Adv Drug Deliv Rev. 2001 Mar 1;46(1-3):3-26. Review.

PMID:
11259830
5.

High-throughput prediction of blood-brain partitioning: a thermodynamic approach.

Keserü GM, Molnár L.

J Chem Inf Comput Sci. 2001 Jan-Feb;41(1):120-8.

PMID:
11206364
6.

Use of toxicological information in drug design.

Matthews EJ, Benz RD, Contrera JF.

J Mol Graph Model. 2000 Dec;18(6):605-15.

PMID:
11155316
7.

Prediction of polar surface area and drug transport processes using simple parameters and PLS statistics.

Osterberg T, Norinder U.

J Chem Inf Comput Sci. 2000 Nov-Dec;40(6):1408-11.

PMID:
11128099
8.

Improving the odds in discriminating "drug-like" from "non drug-like" compounds.

Frimurer TM, Bywater R, Naerum L, Lauritsen LN, Brunak S.

J Chem Inf Comput Sci. 2000 Nov-Dec;40(6):1315-24.

PMID:
11128089
9.
10.

Neural network modeling for estimation of partition coefficient based on atom-type electrotopological state indices

Huuskonen JJ, Livingstone DJ, Tetko IV IV.

J Chem Inf Comput Sci. 2000 Jul;40(4):947-55.

PMID:
10955523
11.

Symbolic, neural, and Bayesian machine learning models for predicting carcinogenicity of chemical compounds.

Bahler D, Stone B, Wellington C, Bristol DW.

J Chem Inf Comput Sci. 2000 Jul-Aug;40(4):906-14.

PMID:
10955517
12.

Use of statistical and neural net approaches in predicting toxicity of chemicals.

Basak SC, Grunwald GD, Gute BD, Balasubramanian K, Opitz D.

J Chem Inf Comput Sci. 2000 Jul-Aug;40(4):885-90.

PMID:
10955514
13.

Modeling the toxicity of chemicals to Tetrahymena pyriformis using molecular fragment descriptors and probabilistic neural networks.

Niculescu SP, Kaiser KL, Schultz TW.

Arch Environ Contam Toxicol. 2000 Oct;39(3):289-98.

PMID:
10948278
14.

QSAR model for drug human oral bioavailability.

Yoshida F, Topliss JG.

J Med Chem. 2000 Jun 29;43(13):2575-85. Erratum in: J Med Chem 2000 Nov 30;43(24):4723.

PMID:
10891117
15.

A simple model for the prediction of blood-brain partitioning.

Feher M, Sourial E, Schmidt JM.

Int J Pharm. 2000 May 25;201(2):239-47.

PMID:
10878329
16.

Prediction of drug solubility from Monte Carlo simulations.

Jorgensen WL, Duffy EM.

Bioorg Med Chem Lett. 2000 Jun 5;10(11):1155-8.

PMID:
10866370
17.
20.

Designing libraries with CNS activity.

Ajay, Bemis GW, Murcko MA.

J Med Chem. 1999 Dec 2;42(24):4942-51.

PMID:
10585204
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