Virtual Chemotheca




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Welcome to the Mu.Ta.Lig Virtual Chemotheca!

For each lead compound developed in medicinal chemistry research several other inactive or less active molecules are synthetized/isolated and tested.
These chemical entities are useful for deriving structure activity relationships with respect to the original target, but their development and application stops, in the best cases, in a scientific manuscript and they are forgotten in some storage area.
Inactive or poorly active compounds could live a second life by testing them with respect to other targets.

The Mu.Ta.Lig COST Action project aims to address this by developing a virtual chemotheca.
Such a computational facility contains virtual compounds kindly provided by Mu.Ta.Lig participants whose are the intellectual owners.
For each entry, physico-chemical and ADME properties have been theoretically computed. Experimental activity data have been stored, if available.
Selected molecules can be acquired directly from their owners who are absolutely free to take accord as they like, without intermediation by Mu.Ta.Lig Virtual Chemotheca management.

Registered users have full access to Chemotheca data whereas Guest access will provide a simplified search interface to retrieve basic information (compound IDs and related 2D or 3D chemical structures, only) and some compounds could be hidden according to their owner decision.

Registration is free of charge and allows users to upload new compounds and/or to update experimental/theoretical activity data (i.e. new target tested) related to already stored compounds. Both tasks will be very appreciated!

This authentication procedure requires the exchange of session cookies. No other information will be kept from your browser!