E-LIB Suche - Ergebnisse für: Nittinger, Eva

1

Machine learning for small molecule drug discovery in acade..:

Volkamer, Andrea ; Riniker, Sereina ; id_orcid:0 000-0003-1893-4031...
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.ailsci.2022.100056. , 2023

Link: https://hdl.handle.net/2..

2

Similarity-based pairing improves efficiency of siamese neu..:

Zhang, Yumeng ; Menke, Janosch ; He, Jiazhen...
Journal of Cheminformatics, 2023, 15,. , 2023

Link: http://urn.kb.se/resolve..

3

Biomedical data analyses facilitated by open cheminformatic..:

Nittinger, Eva ; Clark, Alex ; Gaulton, Anna.
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10108476/. , 2023

Link: http://www.ncbi.nlm.nih...

4

Similarity-based pairing improves efficiency of siamese neu..:

Zhang, Yumeng ; Menke, Janosch ; He, Jiazhen...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10469421/. , 2023

Link: http://www.ncbi.nlm.nih...

5

Improving reproducibility and reusability in the Journal of..:

Hoyt, Charles Tapley ; Zdrazil, Barbara ; Guha, Rajarshi...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10314397/. , 2023

Link: http://www.ncbi.nlm.nih...

6

Transformer-based molecular optimization beyond matched mol..:

He, Jiazhen ; Nittinger, Eva ; Tyrchan, Christian...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8962145/. , 2022

Link: http://www.ncbi.nlm.nih...

7

The Influence of Nonadditivity on Machine Learning and Deep..:

Nittinger, Eva ; Kwapien, Karolina ; He, Jiazhen...
doi:10.5281/zenodo.6711013. , 2022

Link: https://zenodo.org/recor..

8

Implications of Additivity and Nonadditivity for Machine Le..:

Kwapien, Karolina ; Nittinger, Eva ; He, Jiazhen...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9352238/. , 2022

Link: http://www.ncbi.nlm.nih...

9

Siamese Recurrent Neural Network with a Self-Attention Mech..:

Fernández-Llaneza, Daniel ; Ulander, Silas ; Gogishvili, Dea...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8153912/. , 2021

Link: http://www.ncbi.nlm.nih...

10

Molecular optimization by capturing chemist's intuition usi..:

He, Jiazhen ; You, Huifang ; Sandström, Emil...
Journal of Cheminformatics, 2021, 13,. , 2021

Link: http://urn.kb.se/resolve..

11

DockStream: a docking wrapper to enhance de novo molecular ..:

Guo, Jeff ; Janet, Jon Paul ; Bauer, Matthias R...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8596819/. , 2021

Link: http://www.ncbi.nlm.nih...

12

Molecular optimization by capturing chemist's intuition usi..:

He, Jiazhen ; You, Huifang ; Sandström, Emil...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7980633/. , 2021

Link: http://www.ncbi.nlm.nih...

13

Molecular optimization by capturing chemist's intuition usi..:

He, Jiazhen ; You, Huifang ; Sandström, Emil...
Journal of Cheminformatics, 2021, 13:1,. , 2021

Link: http://urn.kb.se/resolve..

14

Water Molecules Within the HYDE Scoring Function : Placemen..:

Nittinger, Eva
http://nbn-resolving.de/urn:nbn:de:gbv:18-92723. , 2018

Link: http://nbn-resolving.de/..

15

ProteinsPlus: a web portal for structure analysis of macrom..:

Faehrrolfes, Rainer ; Bietz, Stefan ; Flachsenberg, Florian...
https://refubium.fu-berlin.de/handle/fub188/20614. , 2017

Link: https://refubium.fu-berl..