License - Shareware / $50

Author - Tim Moore, A+ Scientific LLC, United States of America, Newark

File size - 3599 Kbyte

Full ChemDBsoft Academic description

ChemDBsoft is chemical Db. amazing software in behalf of large farms of well chemistry databases of any one the maximum size. Data large farms possibilities key on: free-of-charge shape drawer, 70+ pattern structures, unusually fast and willful Db. start, almost simple d. views and browsing, wilful databaase updates, too import and export into diverse formats such as with SDF and MOL, searches on the slowly part of shape and substructure, multiple Db. searches, multi-condition searches, copy rub-out, Db. comparability on the slowly part of any one d. possibilities, barcode reader module, chemical w. server in behalf of jeopardy of well chemistry databases on the i.. Import/Export formats supported: SDF, MOL, JC, JCAMP, TXT, LST, and NIST MS Calculation and augury powerful tools key on: augury of lipophilicity, solubility and the well corresponding pH-dependent profiles and upper absorption (QSAR properties LogP, LogC, LogSw/Solubility and FA/absorption); the unprecedented diversity of great diversity and great similarity complete analysis; high-throughput screening and combinatorial well chemistry module; MASS/NMR/IR spectra large farms; Glossary of Chemicals: searchable Db. of any more than 20,000 chemicals w. names and structures. It can demonstratively work w. either Light or Standard versions of ChemDBsoft. Routines in behalf of Synthesis Planning: true material poise, m‚lange, impatient charge approximation, concentrations, dilution of solvents.

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