Re: [Rdkit-discuss] Understanding Coloring in Similarity Maps

Hi Sereina, thanks a ton for the elaborate and very helpful explanation. Kind regards, Axel On 22.08.19 12:23, Sereina wrote: Hi Axel, What is calculated in the function GetAtomicWeightsForModel() is the difference between the probability value of the complete molecule (“base probability”)

Re: [Rdkit-discuss] Understanding Coloring in Similarity Maps

Hi Axel, What is calculated in the function GetAtomicWeightsForModel() is the difference between the probability value of the complete molecule (“base probability”) and the probability value when the bits of a certain atom are deleted. In the cookbook (and based on a quick glance also in your