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Fragmental Methods in the Design of New Compounds. Applications of The Advanced Algorithm Builder

✍ Scribed by Japertas, Pranas ;Didziapetris, Remigijus ;Petrauskas, Alanas

Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
269 KB
Volume
21
Category
Article
ISSN
1611-020X

No coin nor oath required. For personal study only.

✦ Synopsis

Fragmental methods (FMs) have great potential in many practical areas related to the design of new lead compounds. Advanced Algorithm Builder TM (AAB) is a new software system which employs FMs in (i) building QSPR, QSAR and SAR models, (ii) converting them to custom (in-house) algorithms and screening filters, and (iii) predicting physical properties and biological activities for new compounds. This review demonstrates how FMs and AAB can be used to substantiate our intuition, interpret observations, validate hypotheses and obtain new algorithms for predicting physical properties and biological activities. Applications for practical and theoretical chemists in the design of new lead compounds are discussed.

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