Johann Gasteiger

Computer Science · Physical Sciences

59h-index23.2kcitations409works1.02yr avg
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Research Topics

Computational Drug Discovery Methods(173), Analytical Chemistry and Chromatography(87), Various Chemistry Research Topics(50), History and advancements in chemistry(47), Chemical Synthesis and Analysis(34)

Publications409 total

Künstliche Neuronen in der Chemie
Nachrichten aus der Chemie·2025
My 50 Years with Chemoinformatics
Molecular Informatics·2024· 2 citedOpen Access
Review of the 8<sup>th</sup> autumn school in chemoinformatics
Molecular Informatics·2024· 1 citedOpen Access
Review of: "Neural Quantum Superposition and the Change of Mind"
2023Open Access
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
Journal of Cheminformatics·2022· 36 citedOpen Access
Chemoinformatics and Artificial Intelligence Colloquium: Progress and Challenges to Develop Bioactive Compounds
2022· 2 citedOpen Access
Chemoinformatics and Artificial Intelligence Colloquium: Progress and Challenges to Develop Bioactive Compounds
2022· 3 citedOpen Access
QSAR Modeling: Where Have You Been? Where Are You Going To?
UNC Libraries·2020· 1 citedOpen Access
Chemistry in Times of Artificial Intelligence
ChemPhysChem·2020· 99 citedOpen Access
Performance of Radial Distribution Function-Based Descriptors in the Chemoinformatic Studies of HIV-1 Protease
Future Medicinal Chemistry·2020· 12 citedOpen Access
Scoring ligand efficiency
Acta Poloniae Pharmaceutica - Drug Research·2019· 4 citedOpen Access
Scoring Ligand Efficiency: Potency, Ligand Efficiency and Product Ligand Efficiency within Big Data Landscape
Letters in Drug Design & Discovery·2019· 7 cited
[Special Issue for Honor Award dedicating to Prof Kimito Funatsu]Kimito Funatsu – The Driving Force of Chemoinformatics in Japan
Journal of Computer Aided Chemistry·2019Open Access
Modeling and Prediction of Properties (QSPR/QSAR)
2018
Representation of Chemical Reactions
2018
Empirical Approaches to the Calculation of Properties
2018
Calculation of Structure Descriptors
2018
Future Directions
2018
Introduction
2018
Chemical Reactions – An Introduction
2018
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Frequent Co-authors

Jure Zupan(8), Jens Sadowski(8), Mario Marsili(4), Lothar Terfloth(4), Markus Wagener(4), Clemens Jochum(4), Roberto Todeschini(3), Jan Schuur(3), Heinz Saller(3), Artem Cherkasov(2), Alexandre Varnek(2), Igor I. Baskin(2), Chihae Yang(2), James F. Rathman(2), Ann M. Richard(2), Igor V. Tetko(2), Peter Ertl(2), Vladimir A. Palyulin(2), Eugene V. Radchenko(2), Vsevolod Yu. Tanchuk(2)