Vorträge und Posterpräsentationen (mit Tagungsband-Eintrag):
U. Jordis:
"The integration of software and databases into the daily workflow of a medicinal chemist";
Hauptvortrag: IQPC Fosused Compound Libraries 2007,
Frankfurt;
23.10.2007
- 25.10.2007; in: "IQPC Fosused Compound Libraries 2007",
IQPC GmbH, Berlin,
erscheint nur auf CD
(2007).
Kurzfassung englisch:
With a typical workflow of a medicinal chemist as red thread, this workshop will cover idea generation and
idea verification with database mining (SciFinder, Beilstein Crossfire, DiscoveryGate, Chemistry Databases on
the Web etc.), the creation of virtual libraries and in silico calculations to prioritize synthetic plans (ADME-Tox,
PASS, Personal Chemistry) as well as how to evaluate the IP situation of a project and how to keep track of it
(including the creation of a database for this purpose).
The format of this workshop will be flexible and topics like Electronic Laboratory Notebook will be included
on demand.
Database mining
Virtual Libraries
ADME-Tox property estimation
Chemical structures in project databases using Personal Chemistry
Schlagworte:
workshop medicinal chemistry software databases
Erstellt aus der Publikationsdatenbank der Technischen Universität Wien.