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CPT: Pharmacometrics & Systems Pharmacology
|
April 23, 2026
Machine Learning Meets Pharmacokinetics: A Comparative Analysis of Predictive Models for Plasma Concentration-Time Profiles
Felix Jost, Clemens Giegerich, Christoph Grebner, et al.
Journal of Chemical Information and Modeling
|
October 8, 2025
Upgrading Reliability in Molecular Property Prediction by Robust Quantification of Uncertainty from Machine Learning Models
Alex Kötter, Kanishka Singh, Hans Matter, et al.
Journal of Chemical Information and Modeling
|
November 5, 2019
Virtual Screening in the Cloud: How Big Is Big Enough?
Christoph Grebner, Erik Malmerberg, Andrew Shewmaker, et al.
Journal of Chemical Information and Modeling
|
March 15, 2016
Binding Mode and Induced Fit Predictions for Prospective Computational Drug Design
Christoph Grebner, Jessica Iegre, Johan Ulander, et al.
Chemmedchem
|
October 1, 2021
Application of Deep Neural Network Models in Drug Discovery Programs
Christoph Grebner, Hans Matter, Daniel Kofink, et al.
Journal of Computational Chemistry
|
July 25, 2014
CAST: a new program package for the accurate characterization of large and flexible molecular systems
Christoph Grebner, Johannes Becker, Daniel Weber, et al.
ACS Omega
|
July 3, 2023
Impact of Applicability Domains to Generative Artificial Intelligence
Maxime Langevin, Christoph Grebner, Stefan Güssregen, et al.
Topics in Current Chemistry
|
March 7, 2012
QM/MM investigations of organic chemistry oriented questions
Thomas C Schmidt, Alexander Paasche, Christoph Grebner, et al.
Chembiochem : a European Journal of Chemical Biology
|
April 29, 2024
Task-Similarity is a Crucial Factor for Few-Shot Meta-Learning of Structure-Activity Relationships
Alex Kötter, Stephan Allenspach, Christoph Grebner, et al.
Future Medicinal Chemistry
|
September 1, 2016
3D-Lab: a collaborative web-based platform for molecular modeling
Christoph Grebner, Magnus Norrby, Jonatan Enström, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 26) with videos related to
Sort By:
Page
of 3
CPT: Pharmacometrics & Systems Pharmacology
|
April 23, 2026
Machine Learning Meets Pharmacokinetics: A Comparative Analysis of Predictive Models for Plasma Concentration-Time Profiles
Felix Jost, Clemens Giegerich, Christoph Grebner, et al.
Journal of Chemical Information and Modeling
|
October 8, 2025
Upgrading Reliability in Molecular Property Prediction by Robust Quantification of Uncertainty from Machine Learning Models
Alex Kötter, Kanishka Singh, Hans Matter, et al.
Journal of Chemical Information and Modeling
|
November 5, 2019
Virtual Screening in the Cloud: How Big Is Big Enough?
Christoph Grebner, Erik Malmerberg, Andrew Shewmaker, et al.
Journal of Chemical Information and Modeling
|
March 15, 2016
Binding Mode and Induced Fit Predictions for Prospective Computational Drug Design
Christoph Grebner, Jessica Iegre, Johan Ulander, et al.
Chemmedchem
|
October 1, 2021
Application of Deep Neural Network Models in Drug Discovery Programs
Christoph Grebner, Hans Matter, Daniel Kofink, et al.
Journal of Computational Chemistry
|
July 25, 2014
CAST: a new program package for the accurate characterization of large and flexible molecular systems
Christoph Grebner, Johannes Becker, Daniel Weber, et al.
ACS Omega
|
July 3, 2023
Impact of Applicability Domains to Generative Artificial Intelligence
Maxime Langevin, Christoph Grebner, Stefan Güssregen, et al.
Topics in Current Chemistry
|
March 7, 2012
QM/MM investigations of organic chemistry oriented questions
Thomas C Schmidt, Alexander Paasche, Christoph Grebner, et al.
Chembiochem : a European Journal of Chemical Biology
|
April 29, 2024
Task-Similarity is a Crucial Factor for Few-Shot Meta-Learning of Structure-Activity Relationships
Alex Kötter, Stephan Allenspach, Christoph Grebner, et al.
Future Medicinal Chemistry
|
September 1, 2016
3D-Lab: a collaborative web-based platform for molecular modeling
Christoph Grebner, Magnus Norrby, Jonatan Enström, et al.
Page
of 3