0
Want this question answered?
Be notified when an answer is posted
Add your answer:
Earn +20 pts
What has the author Corwin H Hansch written?
Corwin H. Hansch has written: 'Comprehensive medicinal chemistry' 'Organic chemistry: an outline, problems, and answers' -- subject(s): Organic Chemistry, Outlines, syllabi, Problems, exercises 'Exploring QSAR' -- subject(s): QSAR (Biochemistry) 'Exploring QSAR: Volume 2' 'Organic chemistry' -- subject(s): Organic Chemistry, Outlines, syllabi, Problems, exercises
What is the Hammet substituent constant?
The Hammet substituent constant shows the electron donating or accepting nature of the molecule as well as its chemical reactivity. It is often used in the QSAR study of drugs.
What has the author Yvonne Connolly Martin written?
Yvonne Connolly Martin has written: 'Quantitative drug design' -- subject(s): Biopharmaceutics, Theoretical Models, Drugs, Drug Design, QSAR (Biochemistry), Design, Structure-activity relationships, Quantitative Structure-Activity Relationship 'Quantitative drug design' -- subject(s): Drugs, Structure-activity relationships, Biopharmaceutics, Theoretical Models, Drug Design, QSAR (Biochemistry), Design, Quantitative Structure-Activity Relationship, Mathematical models
How to predict pka of a molecule?
You could either develop a QSAR model using relevant descriptors and exp pKa values, or use Hammett Taft equations. There are several packages to predict pKa. These include ACD/pKa MoKa, Epik, etc...
Define Quantitative structural activity relationship?
Quantitative structure-activity relationship (QSAR)(sometimes QSPR: quantitative structure-property relationship)QSAR is the process by which chemical structure is quantitatively correlated with a well defined process, such as biological activity or chemical reactivity.For example, biological activity can be expressed quantitatively as in the concentration of a substance required to give a certain biological response. Additionally, when physicochemical properties or structures are expressed by numbers, one can form a mathematical relationship, or quantitative structure-activity relationship, between the two. The mathematical expression can then be used to predict the biological response of other chemical structures.http://en.wikipedia.org/wiki/Quantitative_structure-activity_relationship
