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Molecular Informatics|July 28, 2015
Fractal Dimensions of Macromolecular StructuresNickolay Todoroff, Jens Kunze, Herman Schreuder, et al.
Molecular Informatics|August 29, 2017
Theoretical Study on the Conformational Bioeffect of the Fluorination of AcetylcholineJosué M Silla, Daniela R Silva, Matheus P Freitas
Molecular Informatics|November 3, 2017
Generative Recurrent Networks for De Novo Drug DesignAnvita Gupta, Alex T Müller, Berend J H Huisman, et al.
Molecular Informatics|November 3, 2017
Transductive Ridge Regression in Structure-activity ModelingGilles Marcou, Grace Delouis, Olena Mokshyna, et al.
Molecular Informatics|December 14, 2017
Application of Generative Autoencoder in De Novo Molecular DesignThomas Blaschke, Marcus Olivecrona, Ola Engkvist, et al.
Molecular Informatics|September 27, 2017
Kernel Multitask Regression for ToxicogeneticsElsa Bernard, Yunlong Jiao, Erwan Scornet, et al.
Molecular Informatics|September 1, 2017
Novel Method Proposing Chemical Structures with Desirable Profile of Activities Based on Chemical and Protein SpacesIwao Maeda, Kiyoshi Hasegawa, Hiromasa Kaneko, et al.
Molecular Informatics|February 24, 2018
Cheminformatics Analysis of Dynamic WNK-Inhibitor InteractionsMelaine A Kuenemann, Denis Fourches
Molecular Informatics|January 30, 2018
Tox21 Enricher: Web-based Chemical/Biological Functional Annotation Analysis Tool Based on Tox21 Toxicity Screening PlatformJunguk Hur, Larson Danes, Jui-Hua Hsieh, et al.
Molecular Informatics|February 2, 2018
Active Search for Computer-aided Drug DesignDino Oglic, Steven A Oatley, Simon J F Macdonald, et al.
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