E-LIB Suche - Ergebnisse für: Schwab, Christof H

1

Integrative Modeling Strategies for Predicting Drug Toxicit..:

Sanz, Ferran ; Carrió, Pau ; López, Oriol...
Molecular Informatics. 34 (2015) 6-7 - p. 477-484 , 2015

2

New Publicly Available Chemical Query Language, CSRML, To S..:

Yang, Chihae ; Tarkhov, Aleksey ; Marusczyk, Jörg...
Journal of Chemical Information and Modeling. 55 (2015) 3 - p. 510-528 , 2015

Link: https://doi.org/10.1021/..

3

Inroads to Predict in Vivo Toxicology—An Introduction to th..:

Briggs, Katharine ; Cases, Montserrat ; Heard, David J....
International Journal of Molecular Sciences. 13 (2012) 3 - p. 3820-3846 , 2012

Link: https://doi.org/10.3390/..

4

Quantifying intrinsic chemical reactivity of molecular stru..:

Schwöbel, Johannes AH ; Bienfait, Bruno ; Gasteiger, Johann...
Journal of Cheminformatics. 4 (2012) S1 - p. , 2012

Link: https://doi.org/10.1186/..

5

Conformations and 3D pharmacophore searching:

Schwab, Christof H.
Drug Discovery Today: Technologies. 7 (2010) 4 - p. e245-e253 , 2010

Link: https://doi.org/10.1016/..

6

Second-generation de novo design: a view from a medicinal c..:

Zaliani, Andrea ; Boda, Krisztina ; Seidel, Thomas...
Journal of Computer-Aided Molecular Design. 23 (2009) 8 - p. 593-602 , 2009

Link: https://doi.org/10.1007/..

7

THERESA - a new reaction database-driven tool for stepwise ..:

Schwab, Christof H ; Bienfait, B ; Gasteiger, J
Chemistry Central Journal. 2 (2008) S1 - p. , 2008

Link: https://doi.org/10.1186/..

8

Impact of Conformational Flexibility on Three-Dimensional S..:

Renner, Steffen ; Schwab, Christof H. ; Gasteiger, Johann.
Journal of Chemical Information and Modeling. 46 (2006) 6 - p. 2324-2332 , 2006

Link: https://doi.org/10.1021/..

9

Molecular Modeling of Fullerene Dendrimers:

Schönberger, Hubert ; Schwab, Christof H. ; Hirsch, Andreas.
Journal of Molecular Modeling. 6 (2000) 3 - p. 379-395 , 2000

Link: https://doi.org/10.1007/..

10

The eTOX Data-Sharing Project to Advance in Silico Drug-Ind..:

Cases, Montserrat ; Briggs, Katharine ; Steger-Hartmann, Thomas...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC. , 2014

Link: http://www.ncbi.nlm.nih...

11

Inroads to Predict in Vivo Toxicology—An Introduction to th..:

Briggs, Katharine ; Cases, Montserrat ; Heard, David J...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3317745. , 2012

Link: http://www.ncbi.nlm.nih...

12

Quantifying intrinsic chemical reactivity of molecular stru..:

Schwöbel, Johannes AH ; Bienfait, Bruno ; Gasteiger, Johann...
http://www.jcheminf.com/content/4/S1/O8. , 2012

Link: http://www.jcheminf.com/..

13

Quantifying intrinsic chemical reactivity of molecular stru..:

Schwöbel Johannes AH ; Bienfait Bruno ; Gasteiger Johann...
https://doaj.org/toc/1758-2946. , 2012

Link: https://doi.org/10.1186/..

14

THERESA - a new reaction database-driven tool for stepwise ..:

Schwab, Christof H ; Bienfait, B ; Gasteiger, J
http://www.journal.chemistrycentral.com/content/2/S1/P46. , 2008

Link: http://www.journal.chemi..

15

THERESA - a new reaction database-driven tool for stepwise ..:

Schwab, Christof H ; Bienfait, B ; Gasteiger, J
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC. , 2008

Link: http://www.ncbi.nlm.nih...