Message-ID: <1551348132.69.1632427466176.JavaMail.bigchem@cpu> Subject: Exported From Confluence MIME-Version: 1.0 Content-Type: multipart/related; boundary="----=_Part_68_1361282936.1632427466176" ------=_Part_68_1361282936.1632427466176 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Content-Location: file:///C:/exported.html QSAR methods

QSAR methods

OCHEM was designed as a user-friendly web tool for model develop= ment.

It provides an access to about 10 different machine learning methods and= more than 20 different descriptors.

OCHEM can easily develop models with >300k molecules and has handled = data matrices with up to 2*1011 entries (~300k molecules X 700,0= 00 descriptors). For analysis of ToxCast data more than 20k models were= developed as analysed elsewhere.

The following tutorial= explains the development of models using OCHEM.

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