Please restrict your answers to no. of compounds with respect to congeneric series and not diverse dataset.
I had gone through the chapter "QSAR for acute aquatic toxicity:the role of mechanism of toxic action in successful modeling" in which QSAR models based on mutagens are presented with 8 (also 12) compounds without any cross-validation parameters. They had employed MLR, with description of R2, s, F values? My question is that: if we want to study the chemical diversities of a substitution site for a congeneric series (say, R1 with identical scaffold, i took 63 compounds and studied only R1 group diversities and started drawing those fragment molecules i.e scaffold + R1, I only end up with 12 unique fragment molecules) and notably, an important QSAR quote from an expert "The number of compounds required for synthesis in order to place 10 different groups in 4 positions of benzene ring is 10 x 10 x 10 x 10" . Is this the reason I end up only with 12 unique fragment molecules from 63 dataset?
In Comparative binding energy analysis (COMBINE) method, the minimum number of compounds is 15.
Please follow the link to understand the QSAR Model analysis.
https://books.google.co.in/books?id=O_9GU60TcGgC&pg=PA176&lpg=PA176&dq=minimum+number+of++compounds+required+to+develop+QSAR+models&source=bl&ots=sCs82H8tXo&sig=cm2H4U_Lc5DatmfdlOp1WaJA7hw&hl=en&sa=X&ei=A96TVJ-iK4eF8QWXloLADw&ved=0CDAQ6AEwBA#v=onepage&q=minimum%20number%20of%20%20compounds%20required%20to%20develop%20QSAR%20models&f=false
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