Works matching IS 18681743 AND DT 2011 AND VI 30 AND IP 2/3

Results: 24

Graphical Abstract: Mol. Inf. 2-3/2011.

Published in:: Molecular Informatics, 2011, v. 30, n. 2/3, p. 91, doi. 10.1002/minf.201190005
Publication type:: Article

Predictivity of Simulated ADME AutoQSAR Models over Time.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 256, doi. 10.1002/minf.201000160

By:

Rodgers, Sarah L.;
Davis, Andrew M.;
Tomkinson, Nick P.;
van de Waterbeemd, Han

Publication type:

Article

Computational-Regulatory Developments in the Prediction of Oral Drug Absorption.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 112, doi. 10.1002/minf.201000171

By:

Valsami, G.;
Macheras, P.

Publication type:

Article

18.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 87, doi. 10.1002/minf.201180002

By:

Tsantili-Kakoulidou, Anna;
Agrafiotis, Dimitris K.

Publication type:

Article

Retrospective Mapping of SAR Data for TTR Protein in Chemico-Biological Space Using Ligand Efficiency Indices as a Guide to Drug Discovery Strategies.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 161, doi. 10.1002/minf.201000157

By:

Blasi, Daniel;
Arsequell, Gemma;
Valencia, Gregori;
Nieto, Joan;
Planas, Antoni;
Pinto, Marta;
Centeno, Nuria B.;
Abad-Zapatero, Cele;
Quintana, Jordi

Publication type:

Article

Cover Picture: (Mol. Inf. 2-3/2011).

Published in:: Molecular Informatics, 2011, v. 30, n. 2/3, p. 85, doi. 10.1002/minf.201190004
Publication type:: Article

General Purpose Electronegativity Relaxation Charge Models Applied to CoMFA and CoMSIA Study of GSK-3 Inhibitors.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 169, doi. 10.1002/minf.201000141

By:

Tsareva, Daria A.;
Osolodkin, Dmitry I.;
Shulga, Dmitry A.;
Oliferenko, Alexander A.;
Pisarev, Sergey A.;
Palyulin, Vladimir A.;
Zefirov, Nikolay S.

Publication type:

Article

Next-generation QSAR.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 89, doi. 10.1002/minf.201180001

By:

Oprea, Tudor I.

Publication type:

Article

Back to the Roots: Prediction of Biologically Active Natural Products from Ayurveda Traditional Medicine.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 181, doi. 10.1002/minf.201000163

By:

Polur, Honey;
Joshi, Tejal;
Workman, Christopher T.;
Lavekar, Gandhidas;
Kouskoumvekaki, Irene

Publication type:

Article

Prediction of Acute Rodent Toxicity on the Basis of Chemical Structure and Physicochemical Similarity.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 267, doi. 10.1002/minf.201000145

By:

Raevsky, O. A.;
Grigor'ev, V. Y.;
Liplavskaya, E. A.;
Worth, A. P.

Publication type:

Article

Identification of Inhibitors of the Tyrosine Kinase c-Met by Structure-Based Virtual Screening.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 145, doi. 10.1002/minf.201000138

By:

Lemcke, Thomas;
Dreher, Jan;
Rarey, Matthias;
Totzke, Frank;
Schächtele, Christoph;
Kubbutat, Michael H. G.;
Kunick, Conrad

Publication type:

Article

Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 151, doi. 10.1002/minf.201000149

By:

Pérez-Nueno, Violeta I.;
Venkatraman, Vishwesh;
Mavridis, Lazaros;
Clark, Tim;
Ritchie, David W.

Publication type:

Article

Growth Response of Trichoderma Species to Organic Solvents.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 276, doi. 10.1002/minf.201000097

By:

Oros, Gyula;
Naár, Zoltán;
Cserháti, Tibor

Publication type:

Article

Correction: Time-Trajectories in Efficiency Maps as Effective Guides for Drug Discovery Efforts.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 144, doi. 10.1002/minf.201190003

By:

Christmann-Franck, Serge;
Cravo, Daniel;
Abad-Zapatero, Cele

Publication type:

Article

QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 241, doi. 10.1002/minf.201000151

By:

Lagunin, Alexey;
Zakharov, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 189, doi. 10.1002/minf.201000133

By:

Bhhatarai, Barun;
Teetz, Wolfram;
Liu, Tao;
Öberg, Tomas;
Jeliazkova, Nina;
Kochev, Nikolay;
Pukalov, Ognyan;
Tetko, Igor V.;
Kovarich, Simona;
Papa, Ester;
Gramatica, Paola

Publication type:

Article

Discovery of a Potent and Selective Hetero-Bivalent AChE Inhibitor via Bioisosteric Replacement.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 133, doi. 10.1002/minf.201000126

By:

Nicolotti, Orazio;
Pisani, Leonardo;
Catto, Marco;
Leonetti, Francesco;
Giangreco, Ilenia;
Stefanachi, Angela;
Carotti, Angelo

Publication type:

Article

Multi-pH QSAR: II. Regression Analysis Sensitive Enough to Determine the Transition-State p K.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 251, doi. 10.1002/minf.201100024

By:

Scherrer, Robert A.

Publication type:

Article

On the Use of Local and Global QSPRs for the Prediction of Physico-chemical Properties of Polybrominated Diphenyl Ethers.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 232, doi. 10.1002/minf.201000148

By:

Papa, Ester;
Kovarich, Simona;
Gramatica, Paola

Publication type:

Article

Ligand Efficiency Indices (LEIs): More than a Simple Efficiency Yardstick.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 122, doi. 10.1002/minf.201000161

By:

Abad-Zapatero, Cele;
Blasi, Daniel

Publication type:

Article

Structural Bioinformatics Approach of Cyclin-Dependent Kinases 1 and 3 Complexed with Inhibitors.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 219, doi. 10.1002/minf.201000143

By:

Saraiva, Lucas A.;
Veloso, Marcia P.;
Camps, I.;
da Silveira, Nelson J. F.

Publication type:

Article

Using Local Models to Improve (Q)SAR Predictivity.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 205, doi. 10.1002/minf.201000154

By:

Buchwald, Fabian;
Girschick, Tobias;
Seeland, Madeleine;
Kramer, Stefan

Publication type:

Article

Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer-Aided Drug Repurposing.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 100, doi. 10.1002/minf.201100023

By:

Oprea, Tudor I.;
Nielsen, Sonny Kim;
Ursu, Oleg;
Yang, Jeremy J.;
Taboureau, Olivier;
Mathias, Stephen L.;
Kouskoumvekaki, Irene;
Sklar, Larry A.;
Bologa, Cristian G.

Publication type:

Article

Time-Trajectories in Efficiency Maps as Effective Guides for Drug Discovery Efforts.

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 137, doi. 10.1002/minf.201000158

By:

Christmann-Franck, Serge;
Cravo, Daniel;
Abad-Zapatero, Cele

Publication type:

Article