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Research article

First published 2002-5

Evaluation of a Rule Base for Identifying Contact Allergens by using a Regulatory Database: Comparison of Data on Chemicals Notified in the European Union with “Structural Alerts” Used in the DEREK Expert System

Stephan Zinke, Ingrid Gerner, Eva Schlede

Alternatives to Laboratory Animals

Open access

Review article

First published 2016-11

Mathematical modeling of interaction energies between nanoscale objects: A review of nanotechnology applications

Duangkamon Baowan, James M Hill

Advances in Mechanical Engineering

Open access

Research article

First published 2024-12

A novel computational model based on molecular chain dynamics: Quantification and evaluation of interfacial interactions in polymer-based composite materials

Rui Li, Yang Xu, Kaihu Zhang [...]

Composites and Advanced Materials

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Research article

First published

Network Legos: Building Blocks of Cellular Wiring Diagrams

T. M. Murali, Corban G. Rivera

Journal of Computational Biology

Open access

Research article

First published 2021-1

2-Hexylthiophene-substituted Alizarin-based (D–π–A) Organic Dyes for Dye-sensitized Solar Cell Applications: Density Functional Theory and UV–Vis Studies

Ismail Abubakari, Surendra Babu, Said Vuai [...]

Journal of Chemical Research

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Research article

First published 2020-11-19

Sharp bounds for the general Randić index of transformation graphs

Muhammad Imran, Shehnaz Akhter, Hani Shaker

Journal of Intelligent & Fuzzy Systems: Applications in Engineering and Technology

Free access

Research article

First published 2019-11

Sub-terahertz vibrational spectroscopy of ovarian cancer and normal control tissue for molecular diagnostic technology

Tatiana Globus, Christopher Moskaluk, Patcharin Pramoonjago [...]

Cancer Biomarkers

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Research article

First published 2010-10

Quantitative Structure–Activity Relationship Analysis of 4(3H)-Quinazolone Derivatives as Tyrosine Kinase Inhibitors by Multiple Linear Regression

Vikas Srivastava, Deepa Sinha, Anjani K. Tiwari [...]

Cancer Biotherapy and Radiopharmaceuticals

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Research article

First published 2008-7

Theoretical investigation of the alkali-dimer cation K 2 + : Potential energy,dipole moment and atomic polarizabilities

H. Berriche, C. Ghanmi, M. Farjallah [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2010-03

Searching Protein 3-D Structures in Linear Time

Tetsuo Shibuya

Journal of Computational Biology

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