Works matching IS 18681743 AND DT 2012 AND VI 31 AND IP 3/4

Results: 11

Multiple Kernel Learning for Drug Discovery.

Published in:

Molecular Informatics, 2012, v. 31, n. 3/4, p. 313, doi. 10.1002/minf.201100146

By:

Pilkington, Nicholas C. V.;
Trotter, Matthew W. B.;
Holden, Sean B.

Publication type:

Article

QSAR Prediction of Passive Permeability in the LLC-PK1 Cell Line: Trends in Molecular Properties and Cross-Prediction of Caco-2 Permeabilities.

Published in:

Molecular Informatics, 2012, v. 31, n. 3/4, p. 231, doi. 10.1002/minf.201100157

By:

Sherer, Edward C.;
Verras, Andreas;
Madeira, Maria;
Hagmann, William K.;
Sheridan, Robert P.;
Roberts, Drew;
Bleasby, Kelly;
Cornell, Wendy D.

Publication type:

Article

Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure-Activity Modeling and Dataset Comparison.

Published in:

Molecular Informatics, 2012, v. 31, n. 3/4, p. 301, doi. 10.1002/minf.201100163

By:

Kireeva, N.;
Baskin, I. I.;
Gaspar, H. A.;
Horvath, D.;
Marcou, G.;
Varnek, A.

Publication type:

Article

Consensus Computational Ligand-Based Design for the Identification of Novel Modulators of Human Estrogen Receptor Alpha.

Published in:

Molecular Informatics, 2012, v. 31, n. 3/4, p. 246, doi. 10.1002/minf.201100127

By:

McKay, Paul B.;
Fayne, Darren;
Horn, Hans W.;
James, Timothy;
Peters, Martin B.;
Carta, Giorgio;
Caboni, Laura;
Nevin, Daniel K.;
Price, Trevor;
Bradley, Geoff;
Williams, D. Clive;
Rice, Julia E.;
Lloyd, David G.

Publication type:

Article

Molecular Dynamics Simulations of G Protein-Coupled Receptors.

Published in:

Molecular Informatics, 2012, v. 31, n. 3/4, p. 222, doi. 10.1002/minf.201100138

By:

Bruno, Agostino;
Costantino, Gabriele

Publication type:

Article

Towards a Realistic Representation in Surface-Based Pseudoreceptor Modeling: a PDB-Wide Analysis of Binding Pockets.

Published in:

Molecular Informatics, 2012, v. 31, n. 3/4, p. 259, doi. 10.1002/minf.201100166

By:

Wilson, Gregory L.;
Lill, Markus A.

Publication type:

Article

Graphical Abstract: Mol. Inf. 3-4/2012.

Published in:: Molecular Informatics, 2012, v. 31, n. 3/4, p. 195, doi. 10.1002/minf.201290006
Publication type:: Article

Deorphanization of Malonyl CoA:ACP Transacylase Drug Target in Plasmodium falciparum (PfFabD) Using Bacterial Antagonists: A 'Piggyback' Approach for Antimalarial Drug Discovery.

Published in:

Molecular Informatics, 2012, v. 31, n. 3/4, p. 281, doi. 10.1002/minf.201100051

By:

Sreshty, M. Asha Latha;
Surolia, Avadhesha;
Sastry, G. Narahari;
Murty, U. Suryanarayana

Publication type:

Article

Existing and Developing Approaches for QSAR Analysis of Mixtures.

Published in:

Molecular Informatics, 2012, v. 31, n. 3/4, p. 202, doi. 10.1002/minf.201100129

By:

Muratov, Eugene N.;
Varlamova, Ekaterina V.;
Artemenko, Anatoly G.;
Polishchuk, Pavel G.;
Kuz'min, Victor E.

Publication type:

Article

Cover Picture: (Mol. Inf. 3-4/2012).

Published in:: Molecular Informatics, 2012, v. 31, n. 3/4, p. 193, doi. 10.1002/minf.201290005
Publication type:: Article

QSPR Prediction of Lipophilicity for Organic Compounds Using Random Forest Technique on the Basis of Simplex Representation of Molecular Structure.

Published in:

Molecular Informatics, 2012, v. 31, n. 3/4, p. 273, doi. 10.1002/minf.201100102

By:

Ognichenko, Liudmyla N.;
Kuz'min, Victor E.;
Gorb, Leonid;
Hill, Frances C.;
Artemenko, Anatoly G.;
Polischuk, Pavel G.;
Leszczynski, Jerzy

Publication type:

Article