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Topic: LogP

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	LogP - Biocrawler (Site not responding. Last check: 2007-10-05)
		LogP is a measure of differential solubility of a compound in two solvents.
		The classical and most reliable method of LogP determination is the Shake-flask method, which consists of mixing a known amount of solute in a known volume of octanol and water, then measuring the distribution of the solute in each solvent.
		Since the value of LogP is determined by linear regression, several compounds with similar structures must have known logP values.
	www.biocrawler.com /encyclopedia/LogP (455 words)

	Partition coefficient - Wikipedia, the free encyclopedia (Site not responding. Last check: 2007-10-05)
		A partition coefficient or distribution coefficient is a measure of differential solubility of a compound in two solvents.
		The logarithmic ratio of the concentrations of the solute in the solvent is called log P (sometimes LogP).
		LogP is not an accurate determinant of solubility for ionizable drugs as if the drug is in an acidic form it will be poor at passing through lipid membranes.
	en.wikipedia.org /wiki/LogP (920 words)

	logP - octanol-water partition coefficient calculation (Site not responding. Last check: 2007-10-05)
		LogP has become also a key parameter in studies of the environmental fate of chemicals.
		Molinspiration methodology for logP calculation is very robust and is able to process practically all organic and most organometallic molecules.
		For 50.5% of molecules logP is predicted with error < 0.25, for 80.2% with error < 0.5 and for 96.5% with error < 1.0.
	www.molinspiration.com /services/logp.html (330 words)

	Pallas for WINDOWS predicting pKa, logP, logD values and metabolites of compounds
		This is because the absorption of a compound depends on its partition between the biological membrane and the aqueous phase.
		Contrary to logP, in which only one species (usually the neutral one) of a compound is accounted for, logD expresses the hydrophobicity of the compound at a given pH, considering all species of the compound.
		It is based on the pKa and logP prediction of the neutral form and on the calculation of the micro and macro dissociation constants of the compound.
	www.ccl.net /ccl/pallas.html (787 words)

	[No title]
		The molecular structure and extent of ionization are the primary factors in calculating the partition coefficient.
		logP is the logarithm of the partition coefficient
		Its logP is calculated with the use of the ionic fragment of the N
	www.chemaxon.com /marvin/chemaxon/marvin/help/logPlogD.html (807 words)

	Some results on scheduling flat trees in LogP model INFOR - Find Articles (Site not responding. Last check: 2007-10-05)
		LogP is a computational model which allows to describe a wide range of parallel machines in a realistic but simple way.
		In the next section the LogP model is defined, then an assessment of this model for the IBM-SP parallel machine is presented.
		As emphasized in the introduction, it is necessary to define computational models which allow a good (simple) expressivity of parallel applications and which are as realistic as possible in regard to the actual machines on which the application is supposed to run.
	www.findarticles.com /p/articles/mi_qa3661/is_199902/ai_n8831722 (905 words)

	Molecular property explorer - cLogP (Site not responding. Last check: 2007-10-05)
		The logP value of a compound, which is the logarithm of its partition coefficient between n-octanol and water log(c
		It has been shown for compounds to have a reasonable propability of being well absorbt their logP value must not be greater than 5.0.
		More than 5000 compounds with experimentally determined logP values were used as training set to optimize the 369 contribution values associated with the atom types.
	www.chemexper.com /tools/propertyExplorer/cLogP.html (193 words)

	Fast Parallel Sorting Under LogP: Experience with the CM-5 (Site not responding. Last check: 2007-10-05)
		LogP characterizes the performance of modern parallel machines with a small set of parameters: the communication latency (L), overhead (o), bandwidth (g), and the number of processors (P).
		We show that the LogP model is a valuable guide in the development of parallel algorithms and a good predictor of implementation performance.
		We find that communication performance is oblivious to the distribution of the key values, whereas the local processor performance is not; some communication phases are sensitive to the ordering of keys due to contention.
	www.cs.wisc.edu /~dusseau/Papers/sortAbs.html (251 words)

	LogP: Towards a Realistic Model of Parallel Computation - Culler, Karp, Patterson, Sahay, Schauser, Santos, ... (Site not responding. Last check: 2007-10-05)
		Both kinds of models encourage exploitation of formal loopholes, rather than rewarding development of techniques that yield performance across a range of current and future parallel machines.
		LogP Quantified: The Case for Low-Overhead Local Area Networks - Kimberly Keeton Thomas (1995)
		LogP: Towards a realistic model of parallel computation.
	citeseer.ist.psu.edu /culler93logp.html (703 words)

	Log P Introduction
		The logP property value is taken from the ratio of the respective concentrations of a compound in the octanol and water partitions of a two-phase system at equilibrium.
		The concentration measurements are made at a constant temperature, normally 25° C. where the subscripts oct and aq are for octanol and water phases respectively.
		In traditional QSAR paradigms, log of the octanol-water partition coefficient (logP) has been used extensively to describe the lipophilic or hydrophobic properties of a compound.
	www.chemsilico.com /CS_prLogP/LPintro.html (154 words)

	ACD/LogP DB: Overview (Site not responding. Last check: 2007-10-05)
		ACD/LogP DB calculates an accurate LogP (octanol/water partition coefficient) for the neutral form of a molecule - in most cases to ±0.3 LogP units or better.
		The references, structure, name and LogP values are given for each entry in the database.
		Your compound does not have to be in the database in order for its Log P value to be determined.
	www.chem.ac.ru /Chemistry/Databases/LOGPACD.en.html (131 words)

	The Pulsation Modes of Mira Variables
		,logP) relation, while the period ratios prescribe the theoretical positions of the sequences corresponding to first, second and third-overtone (Figure 5.4).
		,logP) relation possibly because only two observations were obtained per star and the amplitudes are relatively large.
		,logP) sequence in the LMC is readily explained in terms of fundamental-mode pulsation in stars of increasing mass as the luminosity increases.
	msowww.anu.edu.au /~kim/thesis/node8.html (3311 words)

	On-line Lipophilicity/Aqueous Solubility Calculation Software
		In addition to the ALOGPS 2.1 logP and logW it also displays values calculated with Interactive Analysis LogP and LogS, Pharma Algorithms LogP, LogS and pKa, COSMOfrag logP, Quantum Pharmaceuticals QlogP QlogS, Molinspiration logP, KOWWIN logP and XLOGP programs.
		The logP prediction accuracy is root mean squared error rms=0.35 and standard mean error s=0.26 [1,2].
		Tetko, I. V.; Bruneau, P. Application of ALOGPS to predict 1-octanol/water distribution coefficients, logP, and logD, of AstraZeneca in-house database, J Pharm Sci, 2004, 93, 3103-10, article.
	www.vcclab.org /lab/alogps (364 words)

	Accelrys: Topkat: Octonal/Water LogP
		This model assesses LogP - the logarithm of the partition coefficient - of a chemical in the n-octanol/water system.
		Molecular structure is the only input required to conduct a LogP assessment.
		When applied to the training set of 6,675 diverse chemicals, the largest deviation between experimental and computed LogP values was observed to be 0.42.
	www.accelrys.com /products/topkat/modules/log_p.html (150 words)

	User manual for XLOGP v2.0 (Site not responding. Last check: 2007-10-05)
		It gives the logP value for a given compound by summing the contributions from component atoms and correction factors.
		The comparison of various logP calculation procedures demonstrates that our method gives much better results than other atom-additive approaches and is at least comparable to some popular fragmental approaches like CLOGP.
		Correlation between the calculated and the experimental logP values of 1853 organic compounds.
	www.ics.uci.edu /~dock/manuals/xlogp2.1/intro.html (254 words)

	pKa and LogP Measurements
		Neutral LogP values from liposomes tend to be very similar to those measured in octanol but the ion-pair LogP values differ.
		Substances submitted for pKa and LogP need to be pure, of accurately known composition and be submitted as free bases or inorganic acid salts.
		Ion pair LogPs may be determined by at least two, preferably three titrations in different ratios of octanol to water.
	www.raell.demon.co.uk /chem/logp/logppka.htm (6165 words)

	Optimal Broadcast and Summation in the LogP Model - Karp, Sahay, Santos, Schauser (ResearchIndex) (Site not responding. Last check: 2007-10-05)
		Abstract: In many distributed-memory parallel computers the only built-in communication primitive is point-to-point message transmission, and more powerful operations suchas broadcast and synchronization must be realized using this primitive.
		Within the LogP model of parallel computation we present algorithms that yield optimal communication schedulesfor several broadcastand synchronization operations.
		These algorithms are mostly shown to be efficient or optimal with respect to the based models using paper and pen or simulations....
	citeseer.ist.psu.edu /karp93optimal.html (518 words)

	ACD/LogP DB vs. Competition
		Table 2: Compare the results of correlations between the experimental and calculated logP values for the different methods from the Table 1.
		Table 4: Compares the results of correlations for all of 71 structures which have proven difficult to calculate using the LOGK method.
		Note that a good calculation method must give not only a high correlation coefficient and a low standard deviation, but also intercept close to zero and slope close to unit.
	www.acdlabs.com /products/phys_chem_lab/logp/competit1.html (359 words)

	User manual for XLOGP v2.0
		The most important thing is that you provide a "correct" representation of your molecule in Mol2 format because the following calculation will totally rely on it..
		In that table, the first column is the ID of a certain atom; the second column is the ID of its atom type; the third column indicates the symbol of its atom type; while the last column indicates its contribution to the logP value.
		The only difference is that the atomic charges in the input Mol2 file have been replaced by the atomic contribution to the logP value (the last column in the following example Mol2 file).
	www.ics.uci.edu /~dock/manuals/xlogp2.1/usage.html (771 words)

	SLIPPER - Solubility, Lipophilicity & Permeability. LogP, LogD, Prediction of lipophilicity, solubility and the ...
		LogP, LogD, Prediction of lipophilicity, solubility and the corresponding pH-dependent profiles and drug absorbtion
		SLIPPER: LogP, LogD, LogSw, FA Prediction of lipophilicity, solubility and the corresponding pH-dependent profiles and drug absorption
		SLIPPER-2001 (Solubility, LIPophilicity, PERmeability) is used to predict the aqueous solubility, lipophilicity and absorption for a wide range of compounds based on structural similarity and physico-chemical properties of compounds.
	software.timtec.net /slipper.htm (155 words)

	A Practical Approach to the Rating of Barrier Algorithms using the LogP Model and Open MPI
		The first part of this work will introduce four run time complexity classes, to which all barrier algorithms are known to belong.
		Then, the LogP model will be used to analyze the behavior and predict the running time of a representative algorithm of each class.
		As these performance predictions will be scrutinized with the help of measurements conducted on original implementations based on the Open MPI framework, this work will show how to leverage the flexible component architecture of this new MPI implementation, which has proved to be an ideal research tool.
	icl.cs.utk.edu /open-mpi/papers/icpp-2005 (273 words)

	Method based on a relation M=a logP +b (Site not responding. Last check: 2007-10-05)
		Most of the conventional methods are based on the determination of the absolute magnitude of a class of objects through an observable parameter P (this parameter represents either the 21-cm line width for the Tully-Fisher relation or the period for the Period-luminosity relation or the central velocity dispersion for the Faber-Jackson relation...).
		This would be correct if the relation M=a logP +b had no intrinsic dispersion.
		Through this method I will explain why I was wrong when I claimed high Hubble constant (So, the reader will understand why I claim now low value).
	astro.u-strasbg.fr /howfar/paturel/node6.html (898 words)

	LogP Quantified: The Case for Low Overhead Local Area Networks (Site not responding. Last check: 2007-10-05)
		LogP Quantified: The Case for Low Overhead Local Area Networks.
		As we make an ongoing transition to switch-based networks, we find that the marketing focus is link bandwidth.
		Furthermore, an important class of applications, namely NFS file systems and transaction processing database systems, will not be able to take advantage of increases in network bandwidth unless host protocol software overheads are also lowered.
	www.cs.washington.edu /homes/tom/pubs/logp.html (125 words)

	Simulations Plus, inc. - QMPR Plus - MDCK COS Permeability
		Both S+logP models are based on artificial neural network ensembles (ANNE) constructed by our automatic model builder ADMET Modeler™ from 9,658 example compounds selected from the “StarList” of ion-corrected experimental logP values (Hansch, C. et al, 1995).
		The MlogP model, which is based on the published work of Moriguchi, et al (Moriguchi et al; 1992 and 1994), was the sole log P predictor in very early versions of ADMET Predictor™ and continues to be retained for comparison.
		The octanol-water distribution coeffcient, log D, is determined by the ratio of analytical concentrations in octanol and water phases, respectively.
	www.simulations-plus.com /products/model_logP.html (402 words)

	Search Result (Site not responding. Last check: 2007-10-05)
		Jacques Verriet: Scheduling outtrees of height one in the LogP model.
		Maxim Totrov: Accurate and efficient generalized born model based on solvent accessibility: Derivation and application for LogP octanol/water prediction and flexible peptide docking.
		Li Xing, Robert C. Glen: Novel Methods for the Prediction of logP, pKa, and logD.
	www.informatik.uni-trier.de /ley/dbbin/dblpquery.cgi?query=Search&return=100&title=LogP (846 words)

	CiteULike: rblake's logp (Site not responding. Last check: 2007-10-05)
		Recent papers added to rblake's library classified by the tag logp.
		posted to algorithm analysis logp parallel by rblake as
		algorithm analysis citation graph logp metascience parallel preconditioner socialnetworks
	www.citeulike.org /user/rblake/tag/logp (63 words)

	Amazon.com: LogP (Site not responding. Last check: 2007-10-05)
		Modeling parallel sorts with LogP on the CM-5 (Report) by Andrea Carol Dusseau (Unknown Binding - 1994)
		ACD/Logp Db -- The industry standard in logp prediction software.
		Chemdb Software -- Management of chemical databases of any size, multiple database searching, sorting, comparison, merging, diversity analysis, spectra processing, SDF editing, Logp, Logd, Lipinski prediction.
	www.amazon.com /s?ie=UTF8&platform=gurupa&keywords=LogP&search-type=ss&tag=vepoware14-20&index=blended&link_code=qs&page=1 (732 words)

	Physical Chemical Property Prediction - pKa, logP, logD, Solubility (Site not responding. Last check: 2007-10-05)
		Predicted accuracy is usually better than +/- 0.3 logP units
		It is a combination of pKa and logP
		In addition to the four most common physical properties detailed above, many other properties can be calculated or experimental values can be retreived from databases.
	www.intertek-cb.com /newsitetest/services/asg/physicalproperties.shtml (250 words)

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