Works matching IS 18681743 AND DT 2016 AND VI 35 AND IP 11/12

Results: 15

Soft Sensors: Chemoinformatic Model for Efficient Control and Operation in Chemical Plants.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 549, doi. 10.1002/minf.201600028

By:

Funatsu, Kimito

Publication type:

Article

Sparse Neural Network Models of Antimicrobial Peptide-Activity Relationships.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 606, doi. 10.1002/minf.201600029

By:

Müller, Alex T.;
Kaymaz, Aral C.;
Gabernet, Gisela;
Posselt, Gernot;
Wessler, Silja;
Hiss, Jan A.;
Schneider, Gisbert

Publication type:

Article

Analyzing Promiscuity at the Level of Active Compounds and Targets.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 583, doi. 10.1002/minf.201600030

By:

Bajorath, Jürgen

Publication type:

Article

Explorations into Chemical Reactions and Biochemical Pathways.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 588, doi. 10.1002/minf.201600038

By:

Gasteiger, Johann

Publication type:

Article

Building Compound Archives for the Future.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 580, doi. 10.1002/minf.201600042

By:

Lewis, Richard;
Deheuvels, Joakim;
Ertl, Peter;
Pirard, Bernard;
Sirockin, Finton

Publication type:

Article

The Art of Compiling Protein Binding Site Ensembles.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 593, doi. 10.1002/minf.201600043

By:

Bietz, Stefan;
Fährrolfes, Rainer;
Rarey, Matthias

Publication type:

Article

Materials Informatics: Statistical Modeling in Material Science.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 568, doi. 10.1002/minf.201600047

By:

Yosipof, Abraham;
Shimanovich, Klimentiy;
Senderowitz, Hanoch

Publication type:

Article

Empirical Scoring Functions for Affinity Prediction of Protein-ligand Complexes.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 541, doi. 10.1002/minf.201600048

By:

Pason, Lukas P.;
Sotriffer, Christoph A.

Publication type:

Article

Visualization Based Data Mining for Comparison Between Two Solar Cell Libraries.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 622, doi. 10.1002/minf.201600050

By:

Yosipof, Abraham;
Kaspi, Omer;
Majhi, Koushik;
Senderowitz, Hanoch

Publication type:

Article

Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 555, doi. 10.1002/minf.201600052

By:

Montalvo‐Acosta, Joel José;
Cecchini, Marco

Publication type:

Article

Multiple-parameter Optimization in Drug Discovery: Example of the 5-HT1B GPCR.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 599, doi. 10.1002/minf.201600056

By:

Glen, Robert Charles;
Galloway, Warren R. J. D.;
Spring, David R.;
Liwiki, Gemma

Publication type:

Article

Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen Bonds.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 629, doi. 10.1002/minf.201600070

By:

Glavatskikh, Marta;
Madzhidov, Timur;
Solov'ev, Vitaly;
Marcou, Gilles;
Horvath, Dragos;
Varnek, Alexandre

Publication type:

Article

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry.

Published in:

Molecular Informatics, 2016, v. 35, n. 11/12, p. 615, doi. 10.1002/minf.201600073

By:

Tetko, Igor V.;
Engkvist, Ola;
Koch, Uwe;
Reymond, Jean‐Louis;
Chen, Hongming

Publication type:

Article

Cover Picture: (Mol. Inf. 11-12/2016).

Published in:: Molecular Informatics, 2016, v. 35, n. 11/12, p. 539, doi. 10.1002/minf.201681101
Publication type:: Article

5<sup>th</sup> Strasbourg Summer School in Chemoinformatics.

Published in:

2016

By:

Varnek, Alexandre;
Rognan, Didier

Publication type:

Editorial