Software for compound ordering and small-scale compound registration for dry powders

Description

A software solution shall be purchased that enables the sponsor to manage a set of 140 000 small molecules. These compounds are stored in the automated storage system Verso M2 from Hamilton Storage GmbH. The software shall also allow the sponsor’s collaborators to order compounds that are reformatted into microtiter plates. Furthermore, supporting information about these chemical compounds shall be made available to the collaborators. Additionally, a web-based tool enables the sponsor’s collaborators to register small numbers (in the range of dozens to hundreds) of solid compound samples in the software and to send those compounds to the sponsor. Lot 1: -— The software needs to run on a central server system. This server may be located at the service provider (in this case the server must be located within the European Union for data protection reasons) or can be located at EU-OPENSCREEN facilities and be maintained remotely by the service provider/software manufacturer. This is subject to negotiations. — The interaction with the users must be possible from different locations using a secure web browser access. The software must use a role-based user management, which gives the different users the corresponding rights to view compound structures, initiate compound orders, register new compounds and add reference data of the compounds. — A user training must be included. — At least three users must have administrative privileges, which allows them to register new users, register new compounds by conducting a batch import of many compounds at once, and add reference data to the compounds.Up to 50 user shall have the possibility to initiate compound orders and download reference data of the compounds. — The software must possess an algorithm for standardising the structures of chemical compounds. This algorithm must create a report about potentially erroneous compound structures. The software must allow to import alternative chemical structure representations (e.g. from a software that uses a different algorithm for structure standardisation). The original compound structure at the time of registration must always remain available. — The users with administrative privileges must be able to define any number of reference data fields. These data fields may contain data sheets of quality control reports (NMR or LC-MS spectra in the form of PDF documents or numeric tables), fluorescence and absorbance spectra (numeric tables or images). Batch import must be possible for these reference data. — Functionality of the software for at least 10 years after purchase. — First level support via email or telephone over a period of 5 years must be included in the offer. The reaction time of the first-level support shall not exceed 24 hours. — Options include first-level support for additional 5 years, software-interfaces for the control of liquid-handling workstations. The detailed technical specification of the software interfaces will be part of the negotiation procedure.