Works matching IS 18681743 AND DT 2011 AND VI 30 AND IP 10

Results: 9

KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries.

Published in:

Molecular Informatics, 2011, v. 30, n. 10, p. 847, doi. 10.1002/minf.201100076

By:

Saubern, Simon;
Guha, Rajarshi;
Baell, Jonathan B.

Publication type:

Article

A Mechanism for Evolving Novel Plant Sesquiterpene Synthase Function.

Published in:

Molecular Informatics, 2011, v. 30, n. 10, p. 896, doi. 10.1002/minf.201100087

By:

Wymore, Troy;
Chen, Brian Y.;
Nicholas, Hugh B.;
Ropelewski, Alexander J.;
Brooks, Charles L.

Publication type:

Article

Selecting Relevant Descriptors for Classification by Bayesian Estimates: A Comparison with Decision Trees and Support Vector Machines Approaches for Disparate Data Sets.

Published in:

Molecular Informatics, 2011, v. 30, n. 10, p. 885, doi. 10.1002/minf.201100069

By:

Carbon-Mangels, Miriam;
Hutter, Michael C.

Publication type:

Article

Graphical Abstract: Mol. Inf. 10/2011.

Published in:: Molecular Informatics, 2011, v. 30, n. 10, p. 831, doi. 10.1002/minf.201190018
Publication type:: Article

Self-Organizing Maps for In Silico Screening and Data Visualization.

Published in:

Molecular Informatics, 2011, v. 30, n. 10, p. 838, doi. 10.1002/minf.201100082

By:

Digles, Daniela;
Ecker, Gerhard F.

Publication type:

Article

Cover Picture: (Mol. Inf. 10/2011).

Published in:: Molecular Informatics, 2011, v. 30, n. 10, p. 829, doi. 10.1002/minf.201190017
Publication type:: Article

Identification of Novel Inhibitors of UDP-Galactopyranose Mutase by Structure-Based Virtual Screening.

Published in:

Molecular Informatics, 2011, v. 30, n. 10, p. 873, doi. 10.1002/minf.201100085

By:

Karunan Partha, Sarathy;
Sadeghi-Khomami, Ali;
Cren, Sylvaine;
Robinson, Richard I.;
Woodward, Simon;
Slowski, Kate;
Berast, Lindsey;
Zheng, Blake;
Thomas, Neil R.;
Sanders, David A. R.

Publication type:

Article

Deciphering the Structural Requirements of Nucleoside Bisubstrate Analogues for Inhibition of MbtA in Mycobacterium tuberculosis: A FB-QSAR Study and Combinatorial Library Generation for Identifying Potential Hits.

Published in:

Molecular Informatics, 2011, v. 30, n. 10, p. 863, doi. 10.1002/minf.201100056

By:

Maganti, Lakshmi;
Das, Sanjit Kumar;
Mascarenhas, Nahren Manuel;
Ghoshal, Nanda

Publication type:

Article

Optimization of Structure Based Virtual Screening Protocols Against Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents.

Published in:

Molecular Informatics, 2011, v. 30, n. 10, p. 851, doi. 10.1002/minf.201100049

By:

Ul-Haq, Zaheer;
Uddin, Reaz;
Gul, Sana

Publication type:

Article