PRECLAV Crack + Activation Code Download 2024

PRECLAV (PRoperty Evaluation by CLAss Variables) is a useful software for QSPR/QSAR calculations, available from Tarko Laszlo, Center of Organic Chemistry (CCO) - Bucharest, Romanian Academy.

· accepts as input MOPAC93 output files

· analyzes molecules with maximum 99 atoms (H, C, N, O, S, P, F, Cl, Br, I, B, Si or As)

· analyzes molecules with maximum 60 heavy atoms (C, N, O, S, P, F, Cl, Br, I, B, Si or As)

· analyzes maximum 500 molecules (learning set + testing set)

· calculates over 1100 (global, local and grid / field) descriptors

· calculates the aromaticity of chemical bonds by the TPA algorithm

· computes the optimum value for probe atom distances

· selects descriptors using r2 and Class functions

· computes weighting factors by the Ordinary Least Squares Method

· QSPR /QSAR selection is made by r2 function and r2CV , rKCV cross-validation functions

· minimum number of predictors in final QSPR /QSAR: 2

· maximum number of predictors in final QSPR /QSAR: 10

· adaptable to work with user databases

Limitations:

· may analyse only 50 molecule databases

· none time limitations

What's New in This Release:

· accepts as input MOPAC93 output files

· new molecular descriptors

· work very easy with user database