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. 2022 Mar 28;14:18. doi: 10.1186/s13321-022-00599-3

Table 1.

Property change encoding

Property Measured unit Threshold Threshold in log10 scale Designed property change tokens
LogD - - - LogD_change_(− inf, − 6.9]
...
LogD_change_(− 0.3, − 0.1]
LogD_change_(− 0.1, 0.1]
LogD_change_(0.1, 0.3]
...
LogD_change_(6.9, inf]
Solubility μM low: 50 low: 1.7 Solubility_lowhigh
high: >50 high: >1.7 Solubility_highlow
Solubility_no_change
Clearance μL/min/mg low: 20 low: 1.3 Clearance_lowhigh
high: >20 high: >1.3 Clearance_highlow
Clearance_no_change