Describes recent attempts to program computers to map synthetic routes to organic compounds. The computer is provided with structural information for many molecules and reaction descriptions; when a target compound is specified, the computer lists possible precursors, thus indicating possible synthetic routes. (MLH)

A computer program is described for identification of chiral centers in molecules. Essential input to the program includes both atomic and bonding information. The program does not require computer graphic input-output. (BB)

Reviews three organic chemistry computer programs for TRS-80 and Apple microcomputers. Programs include "Introduction to Organic Chemistry,""Qualitative Organic Analysis," and a game called "Chemrain." Indicates that all three produce a readable screen, require exact responses, use graphics in an appealingly and…

Describes a computer program (FORTRAN and APPLESOFT) demonstrating the effect of copolymer composition as a function of conversion, providing theoretical background and examples of types of information gained from computer calculations. Suggests that the program enhances undergraduate students' understanding of basic copolymerization theory.…

Presents background information, laboratory procedures, classroom materials/activities, and chemistry experiments. Topics include sublimation, electronegativity, electrolysis, experimental aspects of strontianite, halide test, evaluation of present and future computer programs in chemistry, formula building, care of glass/saturated calomel…

A Fortran IV program is described which calculates relative peak intensities of any molecular or fragment ion and displays them graphically as a bar graph resembling a mass spectrum. Documentation, including listing, sample usage, and sample execution is available free of charge. (Author/JN)

The computer program for the generation of Wiswesser Line Notation (WLN) has been extended to include polyfused rings, methyl contraction rules, chain of two ring systems, some perifused rings, some chelates, and some metallocenes. Salts and ions are also handled, but in a different manner than what is normally found. (10 references) (Author/NH)

This paper discusses the encoding and decoding of a Wiswesser Line Notation (WLN) with exactness suitable for a computer, and is an outgrowth of a computer program now in operation at NIH which automatically encodes and decodes WLN. (5 references) (Author/NH)

The current organic synthesis program at Harvard University is called the Logic and Heuristics Applied to Synthetic Analysis (LHASA). Discusses this program in detail, focusing on retrosynthetic analysis approach, LHASA hardware, graphical input/perception, strategy control, transform evaluation, and LHASA enhancement. (JN)

A series of programs on organic chemistry written for a 48K Apple computer with Applesoft BASIC and a disk drive are reviewed. Strengths and weaknesses of the package are noted. It is felt the material would be an excellent purchase for any college library or chemistry department. (MP)

The application of molecular mechanics (a nonquantum mechanical method for solving problems concerning molecular geometries) to calculate force fields for n-butane and cyclohexane is discussed. Implications regarding the stable conformations of the example molecules are also discussed. (Author/SK)

Reviews a computer simulation of thin layer chromatography problems for an organic chemistry course. (SL)