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Where not otherwise noted, all Daylight fingerprints used in this study have a length of 1024 bits and have been calculated using a minimal path length of zero and a maximum path length of 7.
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Where not otherwise noted, all Daylight fingerprints used in this study have a length of 1024 bits and have been calculated using a minimal path length of zero and a maximum path length of 7.
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11 for two molecules A and B is calculated as follows: S Tversky = c/ (R(a-c) + (b-c) + c). For binary data, a is defined as the number of bits set to 1 in molecule A. Similarly, b is defined as the number of bits set to 1 in molecule B. c is the number of bits set to 1 in both A and B. R and are user-defined constants.
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11 for two molecules A and B is calculated as follows: S Tversky = c/ (R(a-c) + (b-c) + c). For binary data, a is defined as the number of bits set to "1" in molecule A. Similarly, b is defined as the number of bits set to "1" in molecule B. c is the number of bits set to "1" in both A and B. R and are user-defined constants.
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