update HBD/HBA calc for Lipinski #51
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Really silly proposed change to how the Lipinski's Rule of 5 calculation is implemented! Chatting with Greg at the UGM last week, and he pointed out that in the original paper the HBA count is defined specifically as the "sum of Ns and Os" and HBD as the "sum of OHs and NHs". His recommendation was to use the rules as defined rather than trying to improve them by using the "correct" HBA/HBD counts.