Subject: Chemistry , Working Paper , Title: Bio-inspired Chemical Space Exploration of Terpenoids , Authors: tao zeng, B. Andes Hess, fan zhang, ruibo wu Version 1 posted 07 January 2022 Show abstract Download 781 Downloads
Subject: Chemistry , Working Paper , Title: Self-Supervised Learning for Molecular Property Prediction , Authors: Laurent Dillard Version 1 posted 15 October 2021 Show abstract Download 1,284 Downloads 2 Citations
Subject: Chemistry , Working Paper , Title: Assessment of chemistry knowledge in large language models that generate code , Authors: Andrew D. White, Glen M. Hocky, Heta A. Gandhi, Mehrad Ansari, Sam Cox, Geemi P. Wellawatte, Subarna Sasmal, Ziyue Yang, Kangxin Liu, Yuvraj Singh, Willmor J. Peña Ccoa Version 2 posted 12 December 2022 Show abstract Download 3,955 Downloads 2 Citations
Subject: Chemistry , Working Paper , Title: Machine Learning Predicts Conversion and Molecular Weight Distributions in Computer Controlled Polymerization , Authors: Jin Da Tan, Balamurugan Ramalingam, Swee Liang Wong, Jayce Cheng, Yee-Fun Lim, Vijila Chellappan, Saif A. Khan, Jatin Kumar, Kedar Hippalgaonkar Version 1 posted 14 July 2022 Show abstract Download 1,610 Downloads 6 Citations
Subject: Chemistry , Working Paper , Title: Improving ΔΔG predictions with a multi-task convolutional Siamese Network , Authors: Andrew McNutt, David Koes Version 1 posted 14 December 2021 Show abstract Download 750 Downloads
Subject: Chemistry , Working Paper , Title: Deep generative model of constructing chemical latent space for large molecular structures with 3D complexity , Authors: Toshiki Ochiai, Tensei Inukai, Manato Akiyama, Kairi Furui, Masahito Ohue, Nobuaki Matsumori, Shinsuke Inuki, Motonari Uesugi, Toshiaki Sunazuka, Kazuya Kikuchi, Hideaki Kakeya, Yasubumi Sakakibara Version 2 posted 29 May 2023 Show abstract Download 1,014 Downloads
Subject: Chemistry , Working Paper , Title: Towards autonomous analysis of Chemical Exchange Saturation Transfer experiments using Deep Neural Networks , Authors: Gogulan Karunanithy, Tairan Yuwen, Lewis E Kay, D Flemming Hansen Version 1 posted 15 December 2021 Show abstract Download 492 Downloads 1 Citations
Subject: Chemistry , Working Paper , Title: A novel application of generation model in foreseeing ‘future’ reactions , Authors: Hongliang Duan, Liefeng Ma, Lujing Cao, Yejian Wu, Zhajun Zhan Version 1 posted 25 May 2022 Show abstract Download 373 Downloads
Subject: Chemistry , Working Paper , Title: Convolutional Neural Networks for High Throughput Screening of Catalyst Layer Inks for Polymer Electrolyte Fuel Cells , Authors: Mohammad Javad Eslamibidgoli, Fabian P. Tipp, Jenia Jistev, Jasna Jankovic, Michael H. Eikerling, Kourosh Malek Version 1 posted 12 July 2021 Show abstract Download 396 Downloads
Subject: Chemistry , Working Paper , Title: DrugEx: Deep Learning Models and Tools for Exploration of Drug-like Chemical Space , Authors: Martin Sicho, Sohvi Luukkonen, Helle W. van den Maagdenberg, Linde Schoenmaker, Olivier J.M. Béquignon, Gerard J.P. van Westen Version 2 posted 17 March 2023 Show abstract Download 715 Downloads
