A molecular generative model with genetic algorithm and tree search for cancer samples

16 December 2021

Papers citing "A molecular generative model with genetic algorithm and tree search for cancer samples"

9 / 9 papers shown

Title
JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design AkshatKumar Nigam R. Pollice Alán Aspuru-Guzik 57 52 0 07 Jun 2021
Guiding Deep Molecular Optimization with Genetic Exploration SungSoo Ahn Junsup Kim Hankook Lee Jinwoo Shin 70 73 0 04 Jul 2020
Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics Payel Das Tom Sercu Kahini Wadhawan Inkit Padhi Sebastian Gehrmann ... Yi Yan Yang Jeremy P. K. Tan J. Hedrick J. Crain Aleksandra Mojsilović MedIm 33 14 0 22 May 2020
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 103 707 0 22 Nov 2018
Fréchet ChemNet Distance: A metric for generative models for molecules in drug discovery Kristina Preuer Philipp Renz Thomas Unterthiner Sepp Hochreiter Günter Klambauer MedIm 93 338 0 26 Mar 2018
Deep Reinforcement Learning for De-Novo Drug Design Mariya Popova Olexandr Isayev Alexander Tropsha 83 1,030 0 29 Nov 2017
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 121 1,014 0 25 Apr 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 153 2,927 0 07 Oct 2016
Inferring Algorithmic Patterns with Stack-Augmented Recurrent Nets Armand Joulin Tomas Mikolov TPM 135 411 0 03 Mar 2015