Molecular Design Limited Software

Meanwhile, a multiplicity of chemical and pharmaceutical companies involved in the Molecular Design Limited Software Users Group as users of MACCS and... 

ChemBase. ChemBase, from Molecular Design Limited, is a very powerful structure and reaction management program which is part of a series of programs called the Chemist s Personal Software Series... 

The IBM Personal Computer (PC) is becoming the chemical industry standard for workstation computers. To remain current with the move to workstation automation, and to continue to provide the chemical industry with structure-integrated programs. Molecular Design Limited has developed the Chemist s Personal Software Series. This family of professional software products is designed to assist individual chemists in their daily work and to increase their efficiency. The series consists of four programs ChemBase, ChemText, ChemTalk and ChemHost. 

ChemTalk terminal emulation to run Molecular Design Limited s reaction indexing software REACCS on a mini/mainframe computer for access to centralized structure-based synthetic information ... 

To cover the specialized area of chemical structures in detail, authors could provide only cursory coverage of mathematical expressions and tabular material. Many of the scientific word processing packages that I mentioned and some software the book discusses in detail (especially ChemText from Molecular Design Limited) will handle scientific and graphics material other than chemical structures. This book does not cover well-known graphics systems that handle chemical structures or chemical reactions these systems are already well-documented (6, 7). 

MACCS-II and MACCS-3D are software products from Molecular Design Limited, San Leandro, California, 94577. 

Once many in-house, chemical structure data bases had been built, the users began to realize that it was more efficient to use commercially-available structure handling software for structures alone (or structures and a minimal amount of related property data) and to take advantage of data base management systems to handle property data. Molecular Design Limited (MDL) and Telesystemes modified their MACCS and DARC software, respectively, to allow for the appropriate interfacing of structures and data. 

The FP originate from molecular structure database software where they are used to speed up substructure searches. For this reason, routines to calculate FP are implemented in many commercial software packages and play an historically important role as a first attempt to describe diversity. Even though their applicability as descriptors is limited, the use of FP in library design is still widespread (see Section 9.7 for examples and comparison with other descriptors). In particular, similarity searches in huge databases can be performed very quickly using FPs. 

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