Computers and Applied Chemistry-Computer Aided Molecular and material Design (1992-1993)

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Author: Zhihong Xu
Language: English
Published on: 1993-01
Paperback

1. An Interface "Virtual Production Line" for Material Design
2. Molecular Structure and Computer-Aided Design
3. DARC System: Data and Knowledge Interplay-Data and Material CAD Correlations and Predictions
4. The Issues of Information Modeling
5. Computer-Aided Design of Organometallic Compounds: Approach of their Structure and Reactivity
6. Computer-Aided Screening agricultural Chemicals (CASAC)-A Software Tool Supporting SAR/OSAR and CAMD Studies
7. QSAR Study on the Inhibition to Eschericha Coli Dihydrofolate Reductase by 5-substituted-2, 4-diamino Pyrimidines
8. CISOC-SARSS-Application to Rational Design of Organic Solvent Extractants
9. Developments of New Topological Indices for QSAR/SSPR Studies
10. Quantum Chemical Parameters in Quantitative Structure-Activity Relationship Study
11. Dissociation approach of Chemical Structure and its Application to Group Contribution
12. Study on Active Conformations of Sulfonylurea Herbicides
13. The Quantitative Prediction of Chemical Physical Properties with Neural Networks
14. A New Computer Representation of Chemical Structure, Two Level Compact Connectivity Tables (TLCCT)
15. On Approaches to Computer-Aided Design of Catalysts
16. Study on the Conformations, Electronic Properties and Bio-activity of Sulfonylurea Herbicides based on molecular Orbital Calculations
17. NKDORS-A Database of Organic Reactions for Synthesis
18. A Thermodynamic Approach to Equilibrium Properties of the Nonstoichiometric Vanadium-Sulfur System
19. List of Second ChIN Participants


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