ChemSpace

The lead explosion process works by comparing the structures of the lead compounds with those in ChemSpace followed by compiling a list of ChemSpace... 

Figure 5. A depiction of lead explosion where Optiverse compounds (stars) are supplemented by structurally similar ChemSpace structures (diamonds).

Figure 6. An illustration of lead refinement where new analogue compounds (squares) are specifically made from a knowledge of structure-activity to obtain the best properties. Optiverse compounds are represented by stars and ChemSpace structures by diamonds.

R.D. Cramer, D.E. Patterson and P. Hecht, Discovery and lead refinement using Chemspace (TM), Abstracts of papers of the American Chemical Society, 215 016-COMP, Part 1 APR 2 1998 Virtual compound libraries a new approach to decision making in molecular discovery research J. Chem. Inf. Comp. Sci. 38 (1998), 1010-1023. 

HM ChemSPACE encompasses the interactive online products and services integrated with Houghton Mifflin chemistry textbook programs. HM ChemSPACE is available through text-specific Student and Instructor Websites and via Eduspace , Houghton Mifflin s online course-management system. 

To learn more about /M ChemSPACE contact your Houghton Mifflin sales representative or visit college.hmco.pi[Pg.1183]

HM ChemSPACE with Eduspace is an instructor s one-stop resource for all course material. Through Eduspace, instructors can access ... 

Instructor and student media included within HM ChemSPACE... 

HM ChemSPACE is the portal to online student media resources (college.hmco. com/pic/zumdahlCP6e) to help students prepare for class, study for quizzes and exams, and improve their grade. Students will have access to the following ... 

HM ChemSPACE accompanies every new copy of the text. Students who have bought a used textbook can pnrchase access to HM ChemSPACE separately. 

HM ChemSPACE with Eduspace, Houghton Mifflin s Complete Online Learning Tool, features all of the student resonrces available in HM ChemSPACE as well as ChemWork assignments and SMARTHINKING—live, online tntor-ing. This dynamic suite of products gives students many options for practice and communication. 

Several computational methods for generating large databases of chemically reasonable structures (virtual libraries) have been developed. They employ strategies such as the mutation of text strings representing chemical structures, the expansion of Markush structural representations, or virtual combinatorial libraries derived by exhaustive enumeration of all substituent variations at specific points on a core scaffold. An example of these large virtual libraries is the ChemSpace database, containing approx 10 trillion chemical structures for use in similarity and pharmacophore searches, approx 500,000 times more than all the compounds in Chemical Abstracts. 

---