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| 001 | 270872 | ||
| 005 | 20240725121208.0 | ||
| 024 | 7 | _ | |a 10.5281/ZENODO.12755763 |2 doi |
| 037 | _ | _ | |a DZNE-2024-00911 |
| 100 | 1 | _ | |a Oestreich, Marie |0 P:(DE-2719)9002070 |b 0 |e First author |
| 245 | _ | _ | |a Model: DrugDiff - small molecule diffusion model with flexible guidance towards molecular properties (v1) |
| 260 | _ | _ | |a Zenodo |c 2024 |
| 336 | 7 | _ | |a Software |2 DCMI |
| 336 | 7 | _ | |a Software |b sware |m sware |0 PUB:(DE-HGF)33 |s 1721832208_7923 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a MISC |2 BibTeX |
| 336 | 7 | _ | |a Computer Program |0 6 |2 EndNote |
| 336 | 7 | _ | |a OTHER |2 ORCID |
| 336 | 7 | _ | |a Software |2 DataCite |
| 520 | _ | _ | |a DrugDIFF is a latent diffusion model that uses predictor guidance to generate small molecules with desired molecular properties. |
| 536 | _ | _ | |a 354 - Disease Prevention and Healthy Aging (POF4-354) |0 G:(DE-HGF)POF4-354 |c POF4-354 |f POF IV |x 0 |
| 588 | _ | _ | |a Dataset connected to DataCite |
| 700 | 1 | _ | |a Merdivan, Erinc |0 0009-0004-9213-7393 |b 1 |
| 700 | 1 | _ | |a Lee, Michael |0 P:(DE-2719)9000637 |b 2 |u dzne |
| 700 | 1 | _ | |a Schultze, Joachim L. |0 P:(DE-2719)2811660 |b 3 |
| 700 | 1 | _ | |a Piraud, Marie |0 0000-0002-4917-2458 |b 4 |
| 700 | 1 | _ | |a Becker, Matthias |0 P:(DE-2719)2812750 |b 5 |e Last author |
| 773 | _ | _ | |a 10.5281/ZENODO.12755763 |
| 909 | C | O | |o oai:pub.dzne.de:270872 |p VDB |
| 910 | 1 | _ | |a Deutsches Zentrum für Neurodegenerative Erkrankungen |0 I:(DE-588)1065079516 |k DZNE |b 0 |6 P:(DE-2719)9002070 |
| 910 | 1 | _ | |a Deutsches Zentrum für Neurodegenerative Erkrankungen |0 I:(DE-588)1065079516 |k DZNE |b 2 |6 P:(DE-2719)9000637 |
| 910 | 1 | _ | |a Deutsches Zentrum für Neurodegenerative Erkrankungen |0 I:(DE-588)1065079516 |k DZNE |b 3 |6 P:(DE-2719)2811660 |
| 910 | 1 | _ | |a Deutsches Zentrum für Neurodegenerative Erkrankungen |0 I:(DE-588)1065079516 |k DZNE |b 5 |6 P:(DE-2719)2812750 |
| 913 | 1 | _ | |a DE-HGF |b Gesundheit |l Neurodegenerative Diseases |1 G:(DE-HGF)POF4-350 |0 G:(DE-HGF)POF4-354 |3 G:(DE-HGF)POF4 |2 G:(DE-HGF)POF4-300 |4 G:(DE-HGF)POF |v Disease Prevention and Healthy Aging |x 0 |
| 914 | 1 | _ | |y 2024 |
| 920 | 1 | _ | |0 I:(DE-2719)5000079 |k AG Becker |l Modular High Performance Computing and Artificial Intelligence |x 0 |
| 920 | 1 | _ | |0 I:(DE-2719)1013038 |k AG Schultze |l Clinical Single Cell Omics (CSCO) / Systems Medicine |x 1 |
| 980 | _ | _ | |a sware |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a I:(DE-2719)5000079 |
| 980 | _ | _ | |a I:(DE-2719)1013038 |
| 980 | _ | _ | |a UNRESTRICTED |
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