LamBras's adme [30 articles] Export

Recent papers added to LamBras's library classified by the tag adme. You can also see everyone's adme.

	Designing libraries with CNS activity. [My Copy] Journal of medicinal chemistry, Vol. 42, No. 24. (2 December 1999), pp. 4942-4951. by Ajay, G. W. Bemis, M. A. Murcko posted to adme by LamBras on 2009-02-18 07:45:57 as
	Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs [My Copy] Pharmaceutical Research, Vol. 16, No. 10. (1 October 1999), pp. 1514-1519. by Jan Kelder, Peter D. Grootenhuis, Denis M. Bayada, Leon P. Delbressine, Jan-Peter Ploemen posted to adme by LamBras on 2009-02-18 07:40:28 as
	Prediction of the brain-blood distribution of a large set of drugs from structurally derived descriptors using partial least-squares (PLS) modeling. [My Copy] Journal of chemical information and computer sciences, Vol. 39, No. 2. (r 1999), pp. 396-404. by J. M. Luco posted to adme by LamBras on 2009-02-18 07:35:41 as
	Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction [My Copy] Journal of Computer-Aided Molecular Design, Vol. 22, No. 11. (1 November 2008), pp. 843-855. by Haiyan Li, Jin Sun, Xiaowen Fan, et al.Xiaofan Sui, Lan Zhang, Yongjun Wang, Zhonggui He posted to adme sar by LamBras on 2009-01-30 08:45:10 as along with 2 people misonneh sschurer
	Predicting plasma protein binding of drugs: a new approach [My Copy] Biochemical Pharmacology, Vol. 64, No. 9. (01 November 2002), pp. 1355-1374. by N. Kratochwil, W. Huber, F. Muller, M. Kansy, P. Gerber posted to adme ppb by LamBras on 2009-01-13 17:01:51 as
	MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. [My Copy] J Pharm Sci, Vol. 88, No. 1. (January 1999), pp. 28-33. by J. D. Irvine, L. Takahashi, K. Lockhart, et al.J. Cheong, J. W. Tolan, H. E. Selick, J. R. Grove posted to adme by LamBras on 2009-01-08 14:29:37 as along with 1 person davidng
	Experimental and computational screening models for the prediction of intestinal drug absorption. [My Copy] Journal of medicinal chemistry, Vol. 44, No. 12. (7 June 2001), pp. 1927-1937. by P. Stenberg, U. Norinder, K. Luthman, P. Artursson posted to adme by LamBras on 2009-01-08 14:15:37 as
	Correlating Partitioning and Caco-2 Cell Permeability of Structurally Diverse Small Molecular Weight Compounds [My Copy] Pharmaceutical Research (September 1998), pp. 1490-1494. by M. Yazdanian, S. L. Glynn, J. L. Wright, A. Hawi posted to adme by LamBras on 2009-01-08 14:14:54 as
	Structural Basis of the Drug-binding Specificity of Human Serum Albumin [My Copy] Journal of Molecular Biology, Vol. 353, No. 1. (14 October 2005), pp. 38-52. by Jamie Ghuman, Patricia A. Zunszain, Isabelle Petitpas, Ananyo A. Bhattacharya, Masaki Otagiri, Stephen Curry posted to adme by LamBras on 2009-01-08 13:19:00 as along with 1 person daevans
	In silico prediction of drug-binding strengths to human serum albumin. [My Copy] Medicinal research reviews, Vol. 23, No. 3. (May 2003), pp. 275-301. by G. Colmenarejo posted to adme by LamBras on 2009-01-08 13:18:50 as
	Cheminformatic models to predict binding affinities to human serum albumin. [My Copy] Journal of medicinal chemistry, Vol. 44, No. 25. (6 December 2001), pp. 4370-4378. by G. Colmenarejo, A. Alvarez-Pedraglio, J. L. Lavandera posted to adme by LamBras on 2009-01-08 12:48:01 as
	High-throughput drug discovery: what can we expect from HTS? [My Copy] Drug Discov Today, Vol. 10, No. 1. (1 January 2005), pp. 17-22. by P. Gribbon, A. Sewing posted to adme hts by LamBras on 2008-12-30 13:58:10 as along with 1 person BragilMassoud
	Drug-like properties and the causes of poor solubility and poor permeability [My Copy] Journal of Pharmacological and Toxicological Methods, Vol. 44, No. 1. ( 2000), pp. 235-249. by Christopher A. Lipinski posted to adme cheminformatics drugdesign druglike library_design virtual_screening by LamBras on 2008-08-19 10:35:04 as
	Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings [My Copy] Advanced Drug Delivery Reviews, Vol. 46, No. 1-3. (1 March 2001), pp. 3-26. by Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy, Paul J. Feeney posted to adme drugdesign druglike library_design sar virtual_screening by LamBras on 2008-08-19 10:33:25 as along with 2 people and 2 groups caporaso samjlord biomedical-nlp moernerlab
	Lead- and drug-like compounds: the rule-of-five revolution [My Copy] Drug Discovery Today: Technologies, Vol. 1, No. 4. (December 2004), pp. 337-341. by Christopher A. Lipinski posted to adme druglike library_design virtual_screening by LamBras on 2008-08-19 10:27:43 as along with 5 people and 1 group sameersoi lindsayBattle caporaso massivemayhem noby biomedical-nlp
	Cheminformatic Models To Predict Binding Affinities to Human Serum Albumin [My Copy] J. Med. Chem., Vol. 44, No. 25. (6 December 2001), pp. 4370-4378. by G. Colmenarejo, A. Alvarez-Pedraglio, J. L. Lavandera posted to adme by LamBras on 2008-04-23 13:00:02 as
	Data mining and machine learning techniques for the identification of mutagenicity inducing substructures and structure activity relationships of noncongeneric compounds. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 4. (g 2004), pp. 1402-1411. by C. Helma, T. Cramer, S. Kramer, L. De Raedt posted to adme by LamBras on 2008-04-23 12:37:49 as along with 2 people jxl BragilMassoud
	Predictive Toxicology: Benchmarking Molecular Descriptors and Statistical Methods [My Copy] J. Chem. Inf. Comput. Sci., Vol. 43, No. 5. (22 September 2003), pp. 1463-1470. by J. Feng, L. Lurati, H. Ouyang, et al.T. Robinson, Y. Wang, S. Yuan, S. S. Young posted to adme by LamBras on 2008-04-23 12:36:26 as
	In silico screening of chemicals for bacterial mutagenicity using electrotopological E-state indices and MDL QSAR software [My Copy] Regulatory Toxicology and Pharmacology, Vol. 43, No. 3. (December 2005), pp. 313-323. by Joseph F. Contrera, Edwin J. Matthews, Naomi L. Kruhlak, Daniel R. Benz posted to adme by LamBras on 2008-04-23 12:35:09 as
	Derivation and Validation of Toxicophores for Mutagenicity Prediction [My Copy] J. Med. Chem., Vol. 48, No. 1. (13 January 2005), pp. 312-320. by J. Kazius, R. Mcguire, R. Bursi posted to adme by LamBras on 2008-04-23 12:29:55 as along with 1 person jxl
	QSAR Modeling of Human Serum Protein Binding with Several Modeling Techniques Utilizing Structure-Information Representation [My Copy] J. Med. Chem., Vol. 49, No. 24. (30 November 2006), pp. 7169-7181. by J. R. Votano, M. Parham, L. M. Hall, et al.L. H. Hall, L. B. Kier, S. Oloff, A. Tropsha posted to adme by LamBras on 2008-04-23 12:17:26 as
	One-Dimensional Molecular Representations and Similarity Calculations: Methodology and Validation [My Copy] J. Med. Chem., Vol. 44, No. 23. (8 November 2001), pp. 3795-3809. by S. L. Dixon, K. M. Merz posted to adme by LamBras on 2008-04-23 12:09:01 as
	Prediction of intestinal permeability [My Copy] Advanced Drug Delivery Reviews In Computational Methods for the Prediction of ADME and Toxicity, Vol. 54, No. 3. (31 March 2002), pp. 273-289. by William J. Egan, Georgio Lauri posted to adme by LamBras on 2008-04-23 12:07:43 as
	In silico models for the prediction of dose-dependent human hepatotoxicity [My Copy] Journal of Computer-Aided Molecular Design, Vol. 17, No. 12. (21 December 2003), pp. 811-823. by Ailan Cheng, Steven Dixon posted to adme by LamBras on 2008-04-23 12:05:44 as
	Use of Robust Classification Techniques for the Prediction of Human Cytochrome P450 2D6 Inhibition [My Copy] J. Chem. Inf. Comput. Sci., Vol. 43, No. 4. (21 July 2003), pp. 1308-1315. by R. G. Susnow, S. L. Dixon posted to adme by LamBras on 2008-04-23 12:03:38 as
	Prediction of Drug Absorption Using Multivariate Statistics [My Copy] J. Med. Chem., Vol. 43, No. 21. (19 October 2000), pp. 3867-3877. by W. J. Egan, K. M. Merz, J. J. Baldwin posted to adme by LamBras on 2008-04-23 12:02:11 as along with 1 person JALumley
	Prediction of Aqueous Solubility of a Diverse Set of Compounds Using Quantitative Structure-Property Relationships [My Copy] J. Med. Chem., Vol. 46, No. 17. (14 August 2003), pp. 3572-3580. by A. Cheng, K. M. Merz posted to adme by LamBras on 2008-04-23 12:00:51 as
	Improved Naïve Bayesian Modeling of Numerical Data for Absorption, Distribution, Metabolism and Excretion (ADME) Property Prediction [My Copy] Journal of Chemical Information and Modeling, Vol. 46, No. 5. (2006), pp. 1945-1956. by A. E. Klon, J. F. Lowrie, D. J. Diller posted to adme bayesian by LamBras on 2008-03-15 16:27:10 as
	Automatic QSAR modeling of ADME properties: blood–brain barrier penetration and aqueous solubility [My Copy] Journal of Computer-Aided Molecular Design by Olga Obrezanova, Joelle Gola, Edmund Champness, Matthew Segall posted to adme by LamBras on 2008-03-10 13:39:13 as
	Improved Naïve Bayesian Modeling of Numerical Data for Absorption, Distribution, Metabolism and Excretion (ADME) Property Prediction [My Copy] Journal of Chemical Information and Modeling, Vol. 46, No. 5. (2006), pp. 1945-1956. by A. E. Klon, J. F. Lowrie, D. J. Diller posted to adme bayesian by LamBras on 2008-02-24 16:21:09 as

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flexibility	61
md	61
nmda	58
serinracemase	58
docking	53
virtual_screening	45
adme	30
drugdesign	26
review	19
scoring	18
cheminformatics	14
trna	13
bayesian	12
free_energy	12
ion_channels	12
muscarinic	12
sidechain	12
library_design	10
homology_modeling	9
normal_modes	8
targeted_md	8
nr1	7
rotamers	7
sar	7
conformers	6
gpcr	6
clustering	5
forcefield	5
nmr	5
xray	5
druglike	4
herg	4
proteins	4
surface	4
water_replacement	4
alzheimer	3
chemicalspace	3
ensemble	3
fingerprints	3
hts	3
scaffoldhopping	3
correlation	2
dynamics	2
graph	2
hd	2
lipophilicity	2
mmpbsa	2
pipelining	2
racemase	2
shape	2
similarity	2
allosteric	1
denovo	1
de_novo	1
induced_fit	1
itc	1
m1m2	1
ppb	1
qsar	1
r1	1
schroedinger	1
validation	1
virtuak_screening	1
x-ray	1

LamBras's adme [30 articles] Export

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