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Journal of cheminformatics

Showing results (481-490 of 1,363) with videos related to

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Journal of Cheminformatics|January 7, 2023
Papyrus: a large-scale curated dataset aimed at bioactivity predictionsO J M Béquignon, B J Bongers, W Jespers, et al.
Journal of Cheminformatics|January 12, 2021
A de novo molecular generation method using latent vector based generative adversarial networkOleksii Prykhodko, Simon Viet Johansson, Panagiotis-Christos Kotsias, et al.
Journal of Cheminformatics|January 12, 2021
Identifying new topoisomerase II poison scaffolds by combining publicly available toxicity data and 2D/3D-based virtual screeningAnna Lovrics, Veronika F S Pape, Dániel Szisz, et al.
Journal of Cheminformatics|January 12, 2021
Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energiesChristoph A Bauer, Gisbert Schneider, Andreas H Göller
Journal of Cheminformatics|January 12, 2021
The diatomic molecular spectroscopy databaseXiangyue Liu, Stefan Truppe, Gerard Meijer, et al.
Journal of Cheminformatics|January 12, 2021
Open-source QSAR models for pKa prediction using multiple machine learning approachesKamel Mansouri, Neal F Cariello, Alexandru Korotcov, et al.
Journal of Cheminformatics|January 12, 2021
A general approach for retrosynthetic molecular core analysisJ Jesús Naveja, B Angélica Pilón-Jiménez, Jürgen Bajorath, et al.
Journal of Cheminformatics|January 12, 2021
The chemfp projectAndrew Dalke
Journal of Cheminformatics|January 12, 2021
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiTXinhao Li, Denis Fourches
Journal of Cheminformatics|January 12, 2021
Efficient learning of non-autoregressive graph variational autoencoders for molecular graph generationYoungchun Kwon, Jiho Yoo, Youn-Suk Choi, et al.
Pageof 137

Showing results (481-490 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|January 7, 2023
Papyrus: a large-scale curated dataset aimed at bioactivity predictionsO J M Béquignon, B J Bongers, W Jespers, et al.
Journal of Cheminformatics|January 12, 2021
A de novo molecular generation method using latent vector based generative adversarial networkOleksii Prykhodko, Simon Viet Johansson, Panagiotis-Christos Kotsias, et al.
Journal of Cheminformatics|January 12, 2021
Identifying new topoisomerase II poison scaffolds by combining publicly available toxicity data and 2D/3D-based virtual screeningAnna Lovrics, Veronika F S Pape, Dániel Szisz, et al.
Journal of Cheminformatics|January 12, 2021
Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energiesChristoph A Bauer, Gisbert Schneider, Andreas H Göller
Journal of Cheminformatics|January 12, 2021
The diatomic molecular spectroscopy databaseXiangyue Liu, Stefan Truppe, Gerard Meijer, et al.
Journal of Cheminformatics|January 12, 2021
Open-source QSAR models for pKa prediction using multiple machine learning approachesKamel Mansouri, Neal F Cariello, Alexandru Korotcov, et al.
Journal of Cheminformatics|January 12, 2021
A general approach for retrosynthetic molecular core analysisJ Jesús Naveja, B Angélica Pilón-Jiménez, Jürgen Bajorath, et al.
Journal of Cheminformatics|January 12, 2021
The chemfp projectAndrew Dalke
Journal of Cheminformatics|January 12, 2021
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiTXinhao Li, Denis Fourches
Journal of Cheminformatics|January 12, 2021
Efficient learning of non-autoregressive graph variational autoencoders for molecular graph generationYoungchun Kwon, Jiho Yoo, Youn-Suk Choi, et al.
Pageof 137