|
毕业生
Graduate
|
学习时间Study
Time
|
论文题目 Title
of Dissertation
|
|
|
彭 琛
PENG Chen
|
1991.9-1994.7
|
Computer-Assisted
Analysis of 2D NMR Spectra：I. Structure Elucidation
of Complex Natural Products；II. Resonance
Assignment of Biopolymers(计算机辅助二维核磁共振波谱分析：1.复杂天然产物的结构解析；2.生物大分子共振归属) |
惠永正
HUI Yong Zheng
袁身刚
YUAN Shen Gang
|
|
袁 琼
YUAN
Qiong
|
1993.9-1996.7
|
药物(农药)创制中的计算机辅助：活性模型的建立与应用(The
Computer Assitances in Drug Discovery：Construction
and Applications of Active Modeling) |
蒋锡夔
JIANG
Xi Kui
郑崇直
ZHENG Chong Zhi
|
|
罗时玮
LUO Shi
Wei
|
1997.8-2000.7
|
化学结构计算机处理中若干复杂问题研究(Study
on Some Complicated Problems in Computer Handling of Chemical
Structure) |
|
|
王利莎
WANG Li Sha |
1998.9-2000.12
|
化学反应处理的计算模型：反应知识表述与目标化合物析分(The Computing Model of Chemical Reaction：Processing Reaction Knowledge Representation and Target
Parsing)
|
袁身刚
YUAN Shen Gang |
|
朱 倩
ZHU Qian |
2000.9-2005.7 |
反应知识的自动获取-超结构检索的方法和应用研究(Automatic Acquirement of Chemical
Reaction Knowledge-Methods and Application of Superstructure
Searching) |
袁身刚
YUAN Shen Gang
姚建华
YAO Jian Hua
|
|
廖 泉
LIAO Quan |
2001.9-2006.12 |
有机化合物毒性预测方法研究－致癌、致突变、急性毒性预测
(Development of Methods in the Toxicity Prediction of Organic
Chemicals
--Prediction of Carcinogenicity, Mutagenicity and Acute Toxicity) |
袁身刚
YUAN Shen Gang
姚建华
YAO Jian Hua
|
| 刘 斌
LIU
Bin |
2003.9-2008.12 |
计算机辅助农药分子设计—农药先导化合物筛选指标的建立
(Computer-aided
pesticide design -- study of screening rules for pesticide leads) |
范波涛
FAN
Bo Tao
姚建华
YAO Jian Hua
|
|
俞 飞
YU Fei |
2003.9-2009.7 |
有机化合物酸碱离解常数预测方法研究—基于离解中心及其化学环境的预测方法(Study
of prediction of acid-base ionization/dissociation constant,
pKa.--ionized center and its chemical environment) |
|
|
毕业生
Graduate
|
学习时间Study Time
|
论文题目
|
|
|
赵春雨
ZHAO
Chun Yu
|
1984.9-1987.7
|
计算机模拟方法的研究三维动态分子模型系统的建立(Study
on Computer Simulation：Construction of 3D
Dynamic Molecular Modeling System) |
郑崇直
ZHENG Chong Zhi
|
|
陈 东
CHEN Dong
|
1985.9-1988.7
|
NMR计算机检索系统的研究与建立(Study
on Computerized NMR Searching System and Its Construction) |
袁身刚
YUAN Shen Gang
|
|
彭 琛
PENG Chen
|
1988.9-1991.7
|
分子结构的自动解析：由C-13NMR谱图推断化学结构的计算机化(Automatic
Structure Elucidation of Molecules： Computerization
of Structure Deducing from C-13 NMR Spectra) |
袁身刚
YUAN Shen Gang
|
|
袁 琼
YUAN
Qiong
|
1990.9-1993.7
|
化学结构的光学识别(The Optical
Recognition of Chemical Structure) |
郑崇直
ZHENG Chong Zhi
|
|
孙 苗
SUN Miao
|
1992.9-1995.7
|
活性化合物结构的产生：新药设计的一种方法(Generation
of Active Compounds：A Novel Approach for
Drug Design) |
郑崇直
ZHENG Chong Zhi
|
|
汪德平
WANG De
Ping
|
1992.9-1995.7
|
分子三维结构自动生成的新方法(Novel
Approach for the Generation of 3D Structures) |
袁身刚
YUAN Shen Gang
|
|
辛卫平
XIN Wei
Ping
|
1993.9-1996.7
|
结构相似性的语义模型与三维结构的相似性检索(Semantic
Model of Structure Similarity and 3D Structure Similarity Searching) |
袁身刚
YUAN Shen Gang
|
|
李 葳
LI Wei
|
1993.9-1996.7
|
药效团结构的自动识别：拓扑方法和遗传算法(Automatic
Recognition of Pharmacophore：Topological
Approach and Genetic Algorithms) |
|
|
杨 政
YANG Zheng
|
1994.9-1997.7
|
Claisen重排反应的势能面分析和机理研究(Potential
Energy Surface and Reaction Mechanism in Claisen Rearragement) |
郑崇直
ZHENG Chong Zhi
|
|
欧阳政
OUYANG
Zheng
|
1994.9-1997.7
|
CA索引名自动产生与分子结构分析(Automatic
Generation of CA Index Names and Analysis of Molecular Structure) |
袁身刚
YUAN Shen Gang
余可思
YU
Ke Si
|
|
罗时玮
LUO Shi Wei
|
1994.9-1997.7
|
新一代红外光谱分析系统研究：某些信息处理新技术的应用(Study
on the IR Analysis System of New Generation：Applications
of New Information Techniques) |
袁身刚
YUAN Shen Gang
|
|
王 可
WANG Ke
|
1995.9-1998.7
|
反应数据挖掘：反应知识的自动获取、组织和利用(Reaction Data Mining：Automatic Acquisition，Organization
and Utilization of Reaction Knowledge) |
袁身刚
YUAN Shen Gang
|
|
曹龙巷
CAO Long
Xiang
|
1995.9-1998.7
|
由环系的二维连接表建立三维模型：几何方法和SSA方法(Construction
of 3D Model from 2D Connection Table of Their Ring Systems：Geometric
and SSA [Structure Similarity Analysis] Approaches) |
袁身刚
YUAN Shen Gang
|
|
谭 瑾
TAN Jin
|
1996.9-1999.7
|
Benson法预测有机化合物标准生成焓的改进及程序实现(Software
Estimating Standard Enthalpy of Formation Based on an Improved
Benson Method) |
郑崇直
ZHENG Chong Zhi
陈敏伯
CHEN
Min Bo
|
|
陈旭东
CHEN Xu Dong
|
1996.9-1999.7
|
超结构检索研究：筛选系统和潜在应用(Study
on Hyper Structure Search：Screening System
and Potential Applications) |
袁身刚
YUAN Shen Gang
|
|
杨曦婷
YANG Xi Ting
|
1997.9-2000.7
|
基于知识的计算机辅助核磁共振波谱模拟(Knowledge
Based Computer-Aided NMR Spectral Simulation) |
袁身刚
YUAN Shen Gang
|
|
朱晓春
ZHU Xiao Chun
|
2000.9-2003.7
|
CA索引名的自动分析与结构生成(Automatic
Analysis of CA Index Names and Generation of Molecular Structure) |
袁身刚
YUAN Shen Gang
|
