Suchergebnisse - "Tropsha, Alexander"

PubPharm (424)

1

Pharmacokinetics Profiler (PhaKinPro) : Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles

enthalten in: Journal of medicinal chemistry | 2024

von Rath, M. | Wellnitz, J. | Martin, H. | +12

2

BigBind : Learning from Nonstructural Data for Structure-Based Virtual Screening

enthalten in: Journal of chemical information and modeling | 2024

von Brocidiacono, M. | Francoeur, P. | Aggarwal, R. | +3

3

PregPred: an In-Silico Alternative to Animal Testing for Predicting Developmental Toxicity Potential

enthalten in: chemRxiv.org | 2024

von Tieghi, R. | Rath, M. | Moreira-Filho, J. | +7

4

Cheminformatics-Guided Cell-Free Exploration of Peptide Natural Products

enthalten in: Journal of the American Chemical Society | 2024

von Pelton, J. | Hochuli, J. | Sadecki, P. | +6

5

An Improved Metric and Benchmark for Assessing the Performance of Virtual Screening Models

enthalten in: ArXiv | 2024

von Brocidiacono, M. | Popov, K. | Tropsha, A.

6

An Improved Metric and Benchmark for Assessing the Performance of Virtual Screening Models

enthalten in: arXiv.org | 2024

von Brocidiacono, M. | Popov, K. | Tropsha, A.

7

Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search

enthalten in: Advances in information retrieval : ... European Conference on IR Research, ECIR ... proceedings. European Conference on IR Research | 2024

von Kirchoff, K. | Wellnitz, J. | Hochuli, J. | +4

8

Integrating QSAR modelling and deep learning in drug discovery : the emergence of deep QSAR

enthalten in: Nature reviews. Drug discovery | 2024

von Tropsha, A. | Isayev, O. | Varnek, A. | +2

9

Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search

enthalten in: arXiv.org | 2024

von Kirchoff, K. | Wellnitz, J. | Hochuli, J. | +4

10

HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM) : A novel computational workflow for accelerated virtual screening of ultra-large chemical libraries

enthalten in: Molecular informatics | 2024

von Popov, K. | Wellnitz, J. | Maxfield, T. | +1

1
2
3
4
5
6
7
8
9
10
11
Nächster »
[43]