default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDJournal of Cheminformatics, Volume 17
Volume 17, Number 1, December 2025
- Vincenzo Vigna, Tânia F. G. G. Cova, A. A. C. C. Pais, Emilia Sicilia:
Prediction of Pt, Ir, Ru, and Rh complexes light absorption in the therapeutic window for phototherapy using machine learning. 1 - Zishuo Zeng, Jin Guo, Jiao Jin, Xiaozhou Luo:
CLAIRE: a contrastive learning-based predictor for EC number of chemical reactions. 2 - Dong Wang, Jieyu Jin, Guqin Shi, Jingxiao Bao, Zheng Wang, Shimeng Li, Peichen Pan, Dan Li, Yu Kang, Tingjun Hou:
ADMET evaluation in drug discovery: 21. Application and industrial validation of machine learning algorithms for Caco-2 permeability prediction. 3 - Matteo P. Ferla, Ruben Sanchez-Garcia, Rachael Skyner, Stefan Gahbauer, Jenny C. Taylor, Frank von Delft, Brian D. Marsden, Charlotte M. Deane:
Fragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding-based methodology. 4 - Atsushi Yoshimori, Jürgen Bajorath:
Context-dependent similarity analysis of analogue series for structure-activity relationship transfer based on a concept from natural language processing. 5 - Jean-Louis Reymond:
Chemical space as a unifying theme for chemistry. 6 - James Wellnitz, Sankalp Jain, Joshua E. Hochuli, Travis Maxfield, Eugene N. Muratov, Alexander Tropsha, Alexey V. Zakharov:
One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening. 7 - Jochem Nelen, Horacio Pérez Sánchez, Hans De Winter, Dries Van Rompaey:
Matched pairs demonstrate robustness against inter-assay variability. 8 - Pablo Rodríguez-Belenguer, Emilio Soria-Olivas, Manuel Pastor:
StreamChol: a web-based application for predicting cholestasis. 9 - Farjana Tasnim Mukta, Md Masud Rana, Avery Meyer, Sally Ellingson, Duc Duy Nguyen:
The algebraic extended atom-type graph-based model for precise ligand-receptor binding affinity prediction. 10
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
last updated on 2025-01-28 22:38 CET by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by:
