QSAR & QSPR
QSAR & QSPR
QSAR & QSPR
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Zagreb group indicesn∑ i ∑δiδji=12M 1= δ M 2 =M 1(G 1) = 4*1 2 +2*3 2 = 22M 2(G 1) = 4*(1*3) +1*(3*3) = 21M 1(G 2) = 2*1 2 +4*2 2 = 18M 1(G 2) = 2*(1*2) +3*(2*2) = 16Randić’s molecular connectivity indexRandic introduced a connectivity index similar to M 2χ R=∑( δδ)−i j1/2M. Randić, J. Am. Chem. Soc., 97, 6609 (1975).