Computer Assisted Geometry Optimization for in silico
This paper aimed to present a methodology for the geometry optimization of molecules in order to analyze structure-activity/property relationships. The main objective was to reduce the probability of carrying out misleading analyses while preparing the molecules for modeling. An algorithm that used...
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| Format: | Article |
| Language: | English |
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Iuliu Hatieganu University of Medicine and Pharmacy, Cluj-Napoca
2011-09-01
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| Series: | Applied Medical Informatics |
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| Online Access: | http://ami.info.umfcluj.ro/index.php/AMI/article/view/345/pdf |