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1

Journal Article

Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques

Eitrich, T.
2007

Journal of Chemical Information and Modeling, 47 (2007) S. 92 - 103

2

Journal Article

New Approach for the Electronic Energies of the Hydrogen Molecular Ion

Scott, T. C.
2006

Chemical physics, 324 (2006)

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3

Computational Nanoscience: Do It Yourself! ; NIC Winter School, 14 - 22 February 2006, Forschungszentrum Jülich, Germany - Lecture Notes

Grotendorst, J.
2006

Restricted OpenAccess OpenAccess

4

Internal Report

Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques

Eitrich, T.
2006

5

Talk (non-conference)

Mathematik mit Maple

Grotendorst, J.
2006

6

GALA Grünenthal Applied Life Science Analysis

Kless, A.
2006

OpenAccess

7

Internal Report

New Approach for the Electronic Energies of the Hydrogen Molecular Ion

Scott, T. C.
2005

OpenAccess OpenAccess

8

Conference Presentation

Kooperation Forschungszentrum Jülich und Grünenthal GmbH - Status und Perspektiven

Grotendorst, J.
2005

9

Internal Report

General Relativity and Quantum Mechanics: Towards a Generalization of the Lambert W Function

Scott, T. C.
2005

OpenAccess OpenAccess

10

Talk (non-conference)

Was ist Computermathematik?

Grotendorst, J.
2005

11

Internal Report

Exchange Energy for Two-Active-Electron Diatomic Systems within the Surface Integral Method

Scott, T. C.
2004

OpenAccess OpenAccess

12

Journal Article

Data Mining in F & E

Kless, A.
2004

Bio world, 9 (2004) S. 22 - 23

13

Computermathematik mit Maple

Grotendorst, J.
2004

14

Internal Report

Asymptotically Exact Calculation of the Exchange Energies of One-Active-Electron Diatomic Ions with the Surface Integral Method

Scott, T.
2004

OpenAccess OpenAccess

15

Journal Article

Data Mining in der pharmazeutischen Forschung und Entwicklung

Kless, A.
2004

Laboratory IT user service: LITUS, 1 (2004) S. 20 - 21

16

High Performance Computing in Chemistry

Grotendorst, J.
2004

OpenAccess

17

Journal Article

Asymptotically Exact Calculation of the Exchange Energies of One-Active-Electron Diatomic Ions with the Surface Integral Method

Scott, T. C.
2004

Journal of physics / B, 37 (2004) S. 4451 - 4469

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18

A new non-linear fitting toolbox using symbolic-numeric algorithms

Grotendorst, J.
2004

19

Conference Presentation

The convergence order of the Shanks-Steffensen method for accelerating iteration processes

Grotendorst, J.
2004

20

Journal Article

Exchange Energy for Two-Active-Electron Diatomic Systems Within the Surface Integral Method

Scott, T. C.
2004

Applicable algebra in engineering, communication and computing, 15 (2004) S. 101 - 128

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