Message-ID: <1442329962.25.1632427443113.JavaMail.bigchem@cpu> Subject: Exported From Confluence MIME-Version: 1.0 Content-Type: multipart/related; boundary="----=_Part_24_1878398177.1632427443112" ------=_Part_24_1878398177.1632427443112 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Content-Location: file:///C:/exported.html Working with datasets

Working with datasets

Baskets definition=

OCHEM allows to combine experimental records into reusable sets. Such se= ts of records are referred to as baskets.
Baskets have na= mes and user can virtually have as many baskets as required. Baskets are ty= pically used as training or validation sets for the development of QSAR models.

Baskets as sets of = molecules

Usually, baskets contain the experimental data records. However, baskets= can contain molecules without any experimental data attached.
In this= case, baskets serve as sets of molecules.

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