marcou's library 30 articles Export

	Hsp90 as a capacitor for morphological evolution [My Copy] Nature, Vol. 396, No. 6709. (26 November 1998), pp. 336-342. by Suzanne L. Rutherford, Susan Lindquist posted to chaperone hsp90 by marcou on 2009-01-27 16:32:59 as along with 4 people tictacgo natstreet emptyhb Ema
	The Hsp90 Chaperone Machinery Regulates Signaling by Modulating Ligand Binding Clefts [My Copy] J. Biol. Chem., Vol. 283, No. 34. (22 August 2008), pp. 22885-22889. by William B. Pratt, Yoshihiro Morishima, Yoichi Osawa posted to chaperone hsp90 by marcou on 2009-01-27 16:23:26 as
	Data Mining: Practical Machine Learning Tools and Techniques [My Copy] (2005) by I. H. Witten, E. Frank edited by Morgan Kaufmann posted to data mining textbook by marcou on 2009-01-13 14:07:43 as along with 4 people hellbunnie Zeina krisl rosemarytate
	Introduction to Data Mining [My Copy] (2006) by P. N. Tan, M. Steinbach, V. Kumar posted to data mining textbook by marcou on 2009-01-12 14:49:54 as
	SIMPLS: An alternative approach to partial least squares regression [My Copy] Chemometrics and Intelligent Laboratory Systems, Vol. 18, No. 3. (March 1993), pp. 251-263. by S. de Jong posted to data mining pls simpls by marcou on 2008-12-25 16:42:21 as
	Fast regression methods in a Lanczos (or PLS-1) basis. Theory and applications [My Copy] Chemometrics and Intelligent Laboratory Systems, Vol. 51, No. 2. (24 July 2000), pp. 145-161. by W. Wu, R. Manne posted to data mining pl1 pls simpls by marcou on 2008-12-25 16:36:54 as
	Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures [My Copy] Journal of Computer-Aided Molecular Design, Vol. 19, No. 9. (2005), pp. 693-703. by A. Varnek, D. Fourches, F. Hoonakker, V. Solov’ev posted to chemoinformatics descriptors fragment isida by marcou on 2008-12-25 16:01:12 as
	ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors [My Copy] Current Computer - Aided Drug Design, Vol. 4, No. 3. (September 2008), pp. 191-198. by Alexandre Varnek, Denis Fourches, Dragos Horvath, et al.Olga Klimchuk, Cedric Gaudin, Philippe Vayer, Vitaly Solovev, Frank Hoonakker, Igor V. Tetko, Gilles Marcou posted to chemoinformatics isida screening virtual by marcou on 2008-12-25 15:27:18 as
	Application of Hole Theory to the Viscosity of Ionic and Molecular Liquids [My Copy] ChemPhysChem, Vol. 5, No. 8. (2004), pp. 1242-1246. by Andrew P. Abbott posted to chemistry ionic liquids theory thermodynamics viscosity by marcou on 2008-12-14 17:32:13 as
	Structure of Ionic Liquid−Benzene Mixtures [My Copy] The Journal of Physical Chemistry B, Vol. 109, No. 4. (1 February 2005), pp. 1593-1598. by Maggel Deetlefs, Christopher Hardacre, Mark Nieuwenhuyzen, Oonagh Sheppard, Alan K. Soper posted to chemistry diffraction ionic liquids mechanics molecular neutron theory by marcou on 2008-12-14 17:18:07 as
	A Monte Carlo simulation study of the ionic liquid 1--butyl-3-methylimidazolium hexafluorophosphate: liquid structure, volumetric properties and infinite dilution solution thermodynamics of CO [My Copy] Fluid Phase Equilibria, Vol. 222-223 (15 August 2004), pp. 195-203. by J. Shah, E. Maginn posted to chemistry field force ionic liquids mechanics molecular theory thermodynamics by marcou on 2008-12-14 17:05:46 as
	Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions [My Copy] The Journal of Physical Chemistry B, Vol. 108, No. 43. (1 October 2004), pp. 16893-16898. by Canongia, Agilio A. Padua posted to chemistry field force ionic liquids mechanics molecular quantum theory by marcou on 2008-12-14 16:52:44 as
	Modeling Ionic Liquids Using a Systematic All-Atom Force Field [My Copy] J. Phys. Chem. B, Vol. 108, No. 6. (12 February 2004), pp. 2038-2047. by J. N. Canongialopes, J. Deschamps, A. A. H. Padua posted to chemistry field force ionic liquids mechanics molecular theory by marcou on 2008-12-14 16:45:09 as
	Ab Initio Molecular Dynamics Simulation of a Room Temperature Ionic Liquid [My Copy] The Journal of Physical Chemistry B, Vol. 109, No. 12. (1 March 2005), pp. 5895-5902. by Mario G. Del Popolo, Ruth M. Lynden-Bell, Jorge Kohanoff posted to chemistry ionic liquids mechanic mechanics molecular quantum theory by marcou on 2008-12-14 16:17:36 as
	Raman Spectroscopy and Ab-Initio Model Calculations on Ionic Liquids [My Copy] Monatshefte für Chemie / Chemical Monthly, Vol. 138, No. 11. (1 November 2007), pp. 1045-1075. by Rolf W. Berg posted to chemistry ionic liquids mechanics quantum theory by marcou on 2008-12-14 16:10:39 as
	Densities and Derived Thermodynamic Properties of Imidazolium-, Pyridinium-, Pyrrolidinium-, and Piperidinium-Based Ionic Liquids [My Copy] J. Chem. Eng. Data (14 February 2008) by Ramesh L. Gardas, Henrique F. Costa, Mara G. Freire, et al.Pedro J. Carvalho, Isabel M. Marrucho, Isabel M. Fonseca, Abel G. Ferreira, Jo&#xe3 Coutinho, o A. P. posted to chemistry chemometricsqspr ionic liquids thermodynamics by marcou on 2008-12-14 15:06:37 as along with 4 people facingup18 gardasr raffaelle majdula
	Aqueous interfaces with hydrophobic room-temperature ionic liquids: A molecular dynamics study [My Copy] Journal of Physical Chemistry B, Vol. 109, No. 40. (2005), pp. 18964-18973. by A. Chaumont, R. Schurhammer, G. Wipff posted to chemistry fluid-fluid interface ionic liquids mechanics molecular theory by marcou on 2008-12-14 14:54:59 as along with 1 person majdula
	An application of the consistent charge equilibration (CQEq) method to guanidinium ionic liquid systems [My Copy] Chemical Physics Letters, Vol. 457, No. 1-3. (20 May 2008), pp. 263-266. by M. Tanaka, H. Siehl posted to chemistry ionic liquids mechanics molecular theory by marcou on 2008-12-14 14:41:18 as
	Exhaustive QSPR Studies of a Large Diverse Set of Ionic Liquids: How Accurately Can We Predict Melting Points? [My Copy] Journal of Chemical Information and Modeling, Vol. 47, No. 3. (1 May 2007), pp. 1111-1122. by Alexandre Varnek, Natalia Kireeva, Igor V. Tetko, Igor I. Baskin, Vitaly P. Solov'ev posted to chemistry ionic liquids melting model point qspr theory by marcou on 2008-12-14 11:03:01 as along with 4 people and 2 groups whitead igbaskin daevans nigelsim Jiang Research Group Cheminformatics
	Gas phase model of an ionic liquid: semi-empirical and ab initio bonding and molecular structure [My Copy] Journal of Molecular Structure: THEOCHEM, Vol. 585, No. 1-3. (17 May 2002), pp. 119-128. by Z. Meng posted to chemistry ionic liquids mechanics molecular quantum simulation theory by marcou on 2008-12-14 10:42:10 as
	Estimation of melting points of pyridinium bromide ionic liquids with decision trees and neural networks [My Copy] Green Chem., Vol. 7, No. 1. (2005), pp. 20-27. by Goncalo Carrera, Joao Aires-De-Sousa posted to chemistry ionic liquids melting model point qspr theory by marcou on 2008-12-14 10:25:55 as
	Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 42, No. 2. (1 March 2002), pp. 225-231. by Alan R. Katritzky, Ritu Jain, Andre Lomaka, et al.Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers posted to chemistry ionic liquids melting models point qspr theory by marcou on 2008-12-14 10:19:24 as
	Predicting melting points of quaternary ammonium ionic liquids [My Copy] Green Chem., Vol. 5, No. 3. (2003), pp. 323-328. by David M. Eike, Joan F. Brennecke, Edward J. Maginn posted to chemistry ionic liquids melting models point qspr theory by marcou on 2008-12-14 10:09:45 as
	QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 42, No. 1. (1 January 2002), pp. 71-74. by Alan R. Katritzky, Andre Lomaka, Ruslan Petrukhin, et al.Ritu Jain, Mati Karelson, Ann E. Visser, Robin D. Rogers posted to chemistry ionic liquids model qspr theory by marcou on 2008-12-14 10:03:25 as
	Ionic liquids: prediction of their melting points by a recursive neural network model [My Copy] Green Chem., Vol. 10, No. 3. (2008), pp. 306-309. by Riccardo Bini, Cinzia Chiappe, Celia Duce, et al.Alessio Micheli, Roberto Solaro, Antonina Starita, Maria R. Tine posted to chemistry ionic liquids melting point qspr theory by marcou on 2008-12-13 18:48:53 as
	A simple and generalized model for predicting the density of ionic liquids [My Copy] Fluid Phase Equilibria (15 October 2008) by J. Valderrama, K. Zarricueta posted to chemistry chemometrics ionic liquids by marcou on 2008-12-13 18:44:04 as
	Why Ionic Liquids Can Possess Extra Solvent Power [My Copy] The Journal of Physical Chemistry B, Vol. 110, No. 33. (2006), pp. 16205-16207. by Artem A. Aerov, Alexei R. Khokhlov, Igor I. Potemkin posted to chemistry ionic lattice liquids model theory thermodynamics by marcou on 2008-12-13 18:24:20 as
	Solubility of small molecule in ionic liquids: A model study on the ionic size effect [My Copy] J Phys Chem B, Vol. 111, No. 45. (2007), pp. 13047-13051. by P. Lou, S. Kang, K. C. Ko, J. Y. Lee posted to chemistry ionic lattice liquids model theory thermodynamics by marcou on 2008-12-13 18:21:18 as along with 2 people softsimu mrizal
	Lattice and phase transition thermodynamics of ionic liquids [My Copy] Thermochimica Acta, Vol. 421, No. 1-2. (November 2004), pp. 87-93. by L. Glasser posted to energies ionic lattice liquids phase thermodynamics transitions by marcou on 2008-12-13 10:54:29 as
	A new theory for ionic liquids-the Interstice ModelPart 1. The density and surface tension of ionic liquid EMISE [My Copy] Green Chem., Vol. 6, No. 11. (2004), pp. 541-543. by Jia-Zhen Yang, Xing-Mei Lu, Jin-Song Gui, Wei-Guo Xu posted to chemistry ionic liquids model statistical theory thermodynamics by marcou on 2008-12-13 10:23:57 as along with 1 person majdula

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ionic	22
liquids	22
chemistry	21
theory	19
mechanics	9
molecular	8
thermodynamics	7
qspr	6
model	6
point	5
melting	5
mining	4
quantum	4
data	4
force	3
field	3
lattice	3
chemoinformatics	2
simpls	2
textbook	2
isida	2
models	2
chaperone	2
pls	2
hsp90	2
screening	1
mechanic	1
fragment	1
virtual	1
neutron	1
chemometricsqspr	1
pl1	1
interface	1
diffraction	1
phase	1
descriptors	1
energies	1
statistical	1
simulation	1
viscosity	1
transitions	1
fluid-fluid	1
chemometrics	1

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