Tetrahedron Computer Methodology最新文献_第4页

Automatic knowledge base building for the organic synthesis design program (SECS) 有机合成设计程序(SECS)知识库的自动构建

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90062-D

Mikiro Yanaka , Kazuhiko Nakamura , Azusa Kurumisawa , W. Todd Wipke ∗

引用次数: 9

A method to detect common features necessary for biological activity: Application of ANALOGS for aldose reductase inhibitors 一种检测生物活性所必需的共同特征的方法:醛糖还原酶抑制剂的应用

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90116-P

Tamio Yasukawa ∗ , Katsunori Satoh , Noriaki Gotoh , Toshimasa Ishida ∗ , Shiegeuki Sumiya , Kunihiro Kitamura ∗

引用次数: 1

Symbolic computing on reaction pathways 反应路径的符号计算

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90104-G

Raúl E. Valdés-Pérez

引用次数: 13

Machine learning of generic reactions: 3. an efficient algorithm for maximal common substructure determination 通用反应的机器学习:一种确定最大公共子结构的有效算法

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90061-C

Christian Tonnelier, Philippe Jauffret ∗, Thierry Hanser, Gérard Kaufmann

引用次数: 17

3D database searching and de novo construction methods in molecular design 分子设计中的三维数据库检索与从头构建方法

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90168-8

Joseph B. Moon, W.Jeffrey Howe

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引用次数: 31

Building 3D structural databases: Experiences with MDDR-3D and FCD-3D 建立3D结构数据库:有使用mdr -3D和FCD-3D的经验

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90155-2

Douglas R. Henry, Phil J. McHale, Bradley D. Christie, Daniel Hillman

引用次数: 13

Computer design of potentially bioactive molecules by geometric searching with ALADDIN 利用ALADDIN进行几何搜索的潜在生物活性分子的计算机设计

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90117-Q

Yvonne C. Martin

引用次数: 20

Selection of screens for three-dimensional substructure searching 三维子结构搜索的筛选

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90119-S

Janey K. Cringean, Catherine A. Pepperrell, Andrew R. Poirrette, Peter Willett ∗

引用次数: 27

Applications for neural networks in chemistry. 2. A general connectivity representation for the prediction of regiochemistry 神经网络在化学中的应用。2. 区域化学预测的一般连通性表示

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90050-I

David W. Elrod , Gerald M. Maggiora , Robert G. Trenary

引用次数: 14

A protein structure predictor based on an energy model with learned parameters 基于学习参数的能量模型的蛋白质结构预测器

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90048-D

Joseph D. Bryngelson , J.J. Hopfield , Samuel N. Southard Jr

引用次数: 14