Case Studies for CPCA Scoring

Thank you for asking, @Dinkar. As we discussed in the Q&A thread, the score is determined from knowledge of SAR. The structure (2,2) is easiliy affected by CYP activation compared to (1, 2) and (1,3) due to the steric hindrance. And I guess this scoring system is validated with data in LCDB.

So I am not sure why the structure (2,2) is score+1 but I guess it’s reasonable.