Abstract

My Tortuous Pathway Through Mathematical Chemistry and QSAR Research With Memories of Some Personal Interactions and Collaborations With Professors Milan Randić and Mircea Diudea

Highlights

  • At the Beginning: A Dichotomous Academic Existence “I have become my own version of an optimist

  • “In physical chemistry, a term introduced by Ostwald to denote those properties of a compound which depend on the constitution of the molecule, or on the mode of union and arrangement of the atoms in the molecule.”

  • The subject matter of my doctoral research on amphetamine[2,3] was a group of psychoactive drugs where different closely related structures had different stimulant property profiles

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Summary

Rabindranath Tagore

The first spark of my interest in the relationship between structural aspects of molecules and their properties arose out of two factors: a) Teaching physical chemistry to students at a college in Kolkata, India, and b) Carrying out research on the neurochemical effects of psychoactive drugs like morphine, pethidine on rat brain membranebound enzymes and toxic effects of various organophosphates on organisms. While wondering about why some physical properties were more dependent on structure as compared to others I accidentally came across the work of Corwin Hansch[14] where he used a combination of electronic, steric, and hydrophobic aspects of structures in correlating physical as well as biological properties of molecules This gave me some understanding of the physical/ structural basis of what we call structure-activity relationship

Chemical graph theory research by our Kolkata group
Qualitative aspects
Quantitative graph descriptors
My collaborations with Professor Milan Randić
Albert Einstein
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