Djork-Arné Clevert

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 16

Top Topics

Artificial Intelligence

Psychometric Properties

Protein Protein

Top Venues

Chemical science

Nature communications

Nucleic acids research

Nature reviews. Drug discovery

This page only lists publications with an associated author ORCID identifier.

Publications

Julian Cremer, Tuan Le, Frank Noé, Djork-Arné Clevert, Kristof T Schütt
PILOT: equivariant diffusion for pocket-conditioned de novo ligand generation with multi-objective guidance via importance sampling. Chemical science (2024)
Julian Cremer, Tuan Le, Frank Noé, Djork-Arné Clevert, Kristof T Schütt
PILOT: equivariant diffusion for pocket-conditioned de novo ligand generation with multi-objective guidance via importance sampling. Chemical science (2024)
Kristina Edfeldt, Aled Morgan Edwards, Ola Engkvist, Judith Günther, Matthew Hartley, David G Hulcoop, Andrew R Leach, Brian D Marsden, Amelie Tjaden, Leonie Misquitta, Susanne Müller, Dafydd R Owen, Kristof T Schütt, Nicholas Skelton, Andreas Steffen, Alexander Trospsha, Erik Vernet, Yanli Wang, James Wellnitz, Timothy M Willson, Djork-Arné Clevert, Benjamin Haibe-Kains, Lovisa Holmberg Schiavone, Matthieu Schapira
A data science roadmap for open science organizations engaged in early-stage drug discovery. Nature communications 15 (1) (2024)
Kristina Edfeldt, Aled Morgan Edwards, Ola Engkvist, Judith Günther, Matthew Hartley, David G Hulcoop, Andrew R Leach, Brian D Marsden, Amelie Tjaden, Leonie Misquitta, Susanne Müller, Dafydd R Owen, Kristof T Schütt, Nicholas Skelton, Andreas Steffen, Alexander Trospsha, Erik Vernet, Yanli Wang, James Wellnitz, Timothy M Willson, Djork-Arné Clevert, Benjamin Haibe-Kains, Lovisa Holmberg Schiavone, Matthieu Schapira
A data science roadmap for open science organizations engaged in early-stage drug discovery. Nature communications 15 (1) (2024)
Pedro B P S Reis, Djork-Arné Clevert, Miguel Machuqueiro
PypKa server: online pKa predictions and biomolecular structure preparation with precomputed data from PDB and AlphaFold DB. Nucleic acids research 52 (W1) (2024)
Kristina Edfeldt, Aled Morgan Edwards, Ola Engkvist, Judith Günther, Matthew Hartley, David G Hulcoop, Andrew R Leach, Brian D Marsden, Amelie Tjaden, Leonie Misquitta, Susanne Müller, Dafydd R Owen, Kristof T Schütt, Nicholas Skelton, Andreas Steffen, Alexander Trospsha, Erik Vernet, Yanli Wang, James Wellnitz, Timothy M Willson, Djork-Arné Clevert, Benjamin Haibe-Kains, Lovisa Holmberg Schiavone, Matthieu Schapira
A data science roadmap for open science organizations engaged in early-stage drug discovery. Nature communications 15 (1) (2024)
Pedro B P S Reis, Djork-Arné Clevert, Miguel Machuqueiro
PypKa server: online pKa predictions and biomolecular structure preparation with precomputed data from PDB and AlphaFold DB. Nucleic acids research (2024)
Pedro B P S Reis, Djork-Arné Clevert, Miguel Machuqueiro
PypKa server: online pKa predictions and biomolecular structure preparation with precomputed data from PDB and AlphaFold DB. Nucleic acids research 52 (W1) (2024)
Mikhail Andronov, Varvara Voinarovska, Natalia Andronova, Michael Wand, Djork-Arné Clevert, Jürgen Schmidhuber
Reagent prediction with a molecular transformer improves reaction data quality. Chemical science 14 (12) (2023)
Michael W Mullowney, Katherine R Duncan, Somayah S Elsayed, Neha Garg, Justin Johan Jozias van der Hooft, Nathaniel I Martin, David Meijer, Barbara R Terlouw, Friederike Biermann, Kai Blin, Janani Durairaj, Marina Gorostiola González, Eric J N Helfrich, Florian Huber, Stefan Leopold-Messer, Kohulan Rajan, Tristan de Rond, Jeffrey A van Santen, Maria Sorokina, Marcy J Balunas, Mehdi A Beniddir, Doris A van Bergeijk, Laura M Carroll, Chase M Clark, Djork-Arné Clevert, Chris A Dejong, Chao Du, Scarlet Ferrinho, Francesca Grisoni, Albert Hofstetter, Willem Jespers, Olga V Kalinina, Satria A Kautsar, Hyun Woo Kim, Tiago F Leao, Joleen Masschelein, Evan R Rees, Raphael Reher, Daniel Reker, Philippe Schwaller, Marwin Segler, Michael A Skinnider, Allison S Walker, Egon L Wilighagen, Barbara Zdrazil, Nadine Ziemert, Rebecca J M Goss, Pierre Guyomard, Andrea Volkamer, William H Gerwick, Hyun Uk Kim, Daniel Krug, Gilles P van Wezel, Gerard van Westen, Anna Katharina Herta Hirsch, Roger G Linington, Serina L Robinson, Marnix H Medema
Artificial intelligence for natural product drug discovery. Nature reviews. Drug discovery (2023)
Mikhail Andronov, Varvara Voinarovska, Natalia Andronova, Michael Wand, Djork-Arné Clevert, Jürgen Schmidhuber
Reagent prediction with a molecular transformer improves reaction data quality. Chemical science 14 (12) (2023)
Paul T Kim, Robin Winter, Djork-Arné Clevert
Unsupervised Representation Learning for Proteochemometric Modeling. International journal of molecular sciences 22 (23) (2021)
Djork-Arné Clevert, Tuan Le, Robin Winter, Floriane Montanari
Img2Mol - accurate SMILES recognition from molecular graphical depictions. Chemical science 12 (42) (2021)
Tuan Le, Robin Winter, Frank Noé, Djork-Arné Clevert
Neuraldecipher - reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures. Chemical science 11 (38) (2020)
Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé, Djork-Arné Clevert
Efficient multi-objective molecular optimization in a continuous latent space. Chemical science 10 (34) (2019)
Robin Winter, Floriane Montanari, Frank Noé, Djork-Arné Clevert
Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations. Chemical science 10 (6) (2018)