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groupcontrib.cpp File Reference

Handle logP, PSA and other group-based prediction algorithms. More...

#include <openbabel/babelconfig.h>
#include <vector>
#include <utility>
#include <openbabel/mol.h>
#include <openbabel/parsmart.h>
#include <openbabel/groupcontrib.h>
#include <openbabel/locale.h>

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namespace  OpenBabel

Detailed Description

Handle logP, PSA and other group-based prediction algorithms.

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