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The willingness to assist in the supervision of PhD candidates as well as in teaching duties is expected.

Deep Generative models for molecular de novo design by Iktos: A real life case study

We look forward to receiving your online application including the following documents: i a cover letter stating your motivation for this position, ii a comprehensive CV including publications and presentations, iii diplomas and a list of courses attended, iv contact details of referees optional. Please note that we exclusively accept applications submitted through our online application portal.

Applications via email or postal services will not be considered. For further information about the Molecular Design Laboratory, please visit our website: www. Questions regarding the position should be directed to Dr.

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Jan Hiss by email at jan. The responsibility for the jobs published on this website, including the job description, lies entirely with the publishing institutions.


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A major challenge in computational chemistry is the generation of novel molecular structures with desirable pharmacological and physiochemical properties. In this work, we investigate the potential use of autoencoder, a deep learning methodology, for de novo molecular design. Various generative autoencoders were used to map mole- cule structures into a continuous latent space and vice versa and their performance as structure generator was assessed.

Our results show that the latent space preserves chemical similarity principle and thus can be used for the generation of analogue structures. Professor Schneider coined the terms "scaffold-hopping" and "frequent hitter" in drug design.

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His research activities concentrate on method development for adaptive molecular design and their tight integration with innovative chemical and biophysical techniques in drug discovery. Hann and Andrew R. Leach 2. Durrant and Rommie E.

Postdoctoral position in Medicinal Chemistry / De Novo Drug Design

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