PRECLAV Crack Activation [Win/Mac] [2022]
June 6, 2022
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.
Here are some key features of “PRECLAV”:
· 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
PRECLAV Full Product Key Download For PC
PRECLAV Crack With Keygen Free
· contains the creation of key macro for the Fast Mol2 code
New in V1.0.1:
· 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
Keymacro.m:
· contains the creation of key macro for the Fast Mol2 code
Keymacro.h:
· contains the creation of key macro for the Fast Mol2 code
New in V1.0.1:
· 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
CompoundFactory.m:
· contains the creation of compound factory from Molecular DataBase
New in V1.0.1:
· 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
CompoundFactory.h:
· contains the creation of compound factory from Molecular DataBase
New in V1.0.1:
· 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
CompoundMol2.m:
· contains the creating of
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PRECLAV Product Key [Mac/Win]
The Preclav software consists of two parts: The Preclav Engine is a class library in C++ for compiling the descriptors using a set of plug-ins. The preclav manager is a GUI which uses a small set of predefined plug-ins and provides most of the analysis and visualisation tools. Preclav Engine is the main component, with which the Preclav Manager is actually not connected. Preclav Manager is connected to the Preclav Engine through its API (Application Programming Interface). It provides the basic set of commands which enable the user to analyse, display and modify a molecule. Preclav Engine is included in PRECLAV. Open up the directory PRECLAV\PRECLAV_ENGINE\src to see the code for this component.
Preclav Manager is just a small gui program that uses the Preclav Engine API to provide the user the ability to manipulate and view molecules and descriptors. The Preclav Manager is included in PRECLAV. Open up the directory PRECLAV\PRECLAV_MANAGER\src to see the code for this component.
Preclav Engine:
In the Preclav Engine, the molecular descriptors are loaded into memory and are processed by the Plug-in to produce a preclav analysis. A Preclav Plug-in is a software component, which processes descriptors and output them as preclav analysis data. Preclav Engine provides over 1100 preclav plug-ins. The preclav plug-ins are distributed in the subdirectories Preclav\PRECLAV_PLUGINS\*. The distribution of preclav plug-ins is controlled by the Preclav DLL. So that the preclav plug-ins are enabled only when the Preclav DLL is included. Preclav Manager provides over 600 preclav plug-ins. These preclav plug-ins are distributed in the Preclav\PRECLAV_PLUGINS\*. The distribution of preclav plug-ins is controlled by the Preclav DLL. So that the preclav plug-ins are enabled only when the Preclav DLL is included. The Preclav Plug-ins are written in Visual C++.
Preclav Manager:
The Preclav Manager can be used to analyze a molecule or to produce the descriptor data for a set of molecules.
A molecule can be loaded into memory or provided
What’s New In PRECLAV?
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.
Here are some key features of “PRECLAV”:
· 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
Disclaimer
Any use of this software is at your own risk. The software is provided on an “as is” basis and without any express or implied warranties. PRECLAV, as well as the original MOPAC92 code, is distributed freely by Tarko Laszlo.
If you have any question, suggestion or any feedback, please send an email to tarko@cco.ro.
Please note that you should manually download and install the latest version of MOPAC95 or MOPAC96 libraries, available in this web page.
Please note that the “MOPAC95/96” page is related to the last stable MOPAC92 version, dated May, 1998. The documentation and the versions of this page are not updated when a new version of MOPAC92 is released.
Note that the MOPAC95/96 libraries are provided with your application and PRE
System Requirements:
• Windows 10, 8.1 or Windows 7 SP1
• 512 MB RAM
• 1 GB of free disk space
• DirectX 9.0c compatible graphics card
• Windows Vista SP2 or later
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