Tetrahedron Computer Methodology最新文献_第5页

The golden age of computational chemistry 计算化学的黄金时代

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90064-F

W.Todd Wipke (Editor-in-Chief)

引用次数: 0

Neural network analysis of protein tertiary structure 蛋白质三级结构的神经网络分析

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90052-A

George L. Wilcox , Marius Poliac , Michael N. Liebman

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引用次数: 30

Neural network applications in synthetic organic chemistry: I. A hybrid system which performs retrosynthetic analysis 神经网络在合成有机化学中的应用:1 .进行反合成分析的混合系统

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90049-E

Hudson H. Luce, Rakesh Govind

引用次数: 0

Characteristics of computer-generated 3D and related molecular property data for CAS registry substances 计算机生成的CAS登记物质三维特征及相关分子特性数据

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90163-3

William Fisanick, Kevin P. Cross, Andrew Rusinko III

引用次数: 14

Automatic generation of 3D-atomic coordinates for organic molecules 自动生成三维原子坐标的有机分子

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90156-3

J. Gasteiger, C. Rudolph, J. Sadowski

引用次数: 462

Aromaticity as a quantitative concept part V: A comparison of semi-empirical methods for the calculation of molecular geometries of heteroaromatic compounds and application of the AM1 and MNDO methods to the calculation of Bird's aromaticity indices 芳香性作为定量概念第五部分:计算杂芳香化合物分子几何形状的半经验方法的比较，以及AM1和MNDO方法在Bird’s芳香性指数计算中的应用

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90102-E

Alan R. Katritzky ∗ , Miroslaw Szafran , Ernst Anders , N. Malhotra, Sana Ullah Chaudry

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引用次数: 6

MOLCONV: A powerful interface program for converting molecule structure files between PC based modeling programs MOLCONV:一个功能强大的界面程序，用于在基于PC的建模程序之间转换分子结构文件

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90076-K

Tamas E. Gunda

引用次数: 0

Molecular dynamics of associative memory hamiltonians for protein tertiary structure recognition 蛋白质三级结构识别的联想记忆哈密顿子分子动力学

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90051-9

Mark S. Friedrichs, Peter G. Wolynes

引用次数: 18

Knowledge acquisition from crystallographic databases: Towards a knowledge-based approach to molecular scene analysis 从晶体数据库获取知识:迈向以知识为基础的分子场景分析方法

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90172-5

Frank H. Allen, R. Scott Rowland, Suzanne Fortier , Janice I. Glasgow

引用次数: 11

New regional editorial offices announced 宣布设立新的地区编辑部

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI: 10.1016/0898-5529(90)90100-M

引用次数: 0