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ACD/Labs Chromatography Products

Spectrus Processor ChemAnalytical Workbook Method Selection Suite AutoChrom
Integration with Vendor Products & Data Formats (Agilent, Shimadzu, Thermo Fisher Scientific, Waters, etc.) checkmark checkmark checkmark checkmark
Data Processing checkmark checkmark checkmark checkmark
Database Searching checkmark checkmark checkmark checkmark
Database Building checkmark checkmark
Column Selection Tool checkmark checkmark
Column Comparison Tool checkmark checkmark
pH Calculator checkmark checkmark
pH Selection Tool
(Includes LogD curves & ionic species)
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pKa and LogD predictions checkmark checkmark
Ful list of Physicochemical Properties
(LogP, Solubility, etc.)
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Retention Time Prediction
(Requires method details and a panel of structurally similar compounds)
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Retention Time Modeling
(To optimize method conditions: pH, gradient, temperature, solvent ratio, etc.)
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Method Screening and Selection of Best Option checkmark checkmark
LC Method Transfer Assistant checkmark checkmark
Next Experiment Suggestion checkmark checkmark
LC/UV Peak Tracking checkmark checkmark
LC/MS Peak Tracking checkmark
Automation (Direct communication with Agilent ChemStation, Waters Empower, JMP) checkmark

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