Carlos, Thank you for your suggestion. However, rather than wrestle with the technical details of obtaining polarizabilities from new quantum mechanics schemes, I am simply interested in extracting the atomic contributions that are apparently already available for adescriptor called apol which is apparently in the CDK descriptor set. I am not sure,but I think there are some overlaps between CDK and RDkit descriptors. I am hoping, perhaps, that someone has coded the atomic contributions for polarizabilityand hence with minor modifications to the code, can expose the atomiccontributions. At this point, I am willing to accept the approximate values from theapol descriptor. Regards, Jim Metz
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