Subject: Chemistry , Working Paper , Title: A Probabilistic Molecular Fingerprint for Big Data Settings , Authors: Daniel Probst, Jean-Louis Reymond Version 1 posted 09 October 2018 Show abstract Download 1,299 Downloads
Subject: Chemistry , Working Paper , Title: PubChem and ChEMBL Beyond Lipinski , Authors: Alice Capecchi, Mahendra Awale, Daniel Probst, Jean-Louis Reymond Version 2 posted 15 February 2019 Show abstract Download 1,678 Downloads
Subject: Chemistry , Working Paper , Title: Mapping the Space of Chemical Reactions using Attention-Based Neural Networks , Authors: Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond Version 4 posted 11 December 2020 Show abstract Download 5,980 Downloads
Subject: Chemistry , Working Paper , Title: HSADab2025: AI-powered Modelling of Human Serum Albumin , Authors: Lei Zheng, Xiaohui Wang, Xiao Liu, Mao Wang, John Zeng Hui Zhang, Zuo-yuan Zhang, Zhaoxi Sun Version 2 posted 27 May 2025 Show abstract Download 474 Downloads 1 Citations
Subject: Law , Working Paper , Title: Saying NO To Biometrics , Authors: Guru Dev Teeluckdharry Version 2 posted 11 January 2022 Show abstract Download 393 Downloads
Subject: Chemistry , Working Paper , Title: HSADab: A Comprehensive Database for Human Serum Albumin , Authors: Lei Zheng, Zhaoyi Zeng, Yao Zhao, Xiao Liu, Zhe Huai, Xudong Zhang, Zhaoxi Sun, John Z.H. Zhang Version 1 posted 20 May 2024 Show abstract Download 508 Downloads 1 Citations
Subject: Chemistry , Working Paper , Title: Robust Prediction of Protein–Ligand Binding Potency with Multi-Modal Customized Gate Control , Authors: Bofei Xu, Wenting Tang, Danial Muhammad, Yuqi Yin, Zhirong Liu, Zhaoxi Sun Version 1 posted 23 July 2025 Show abstract Download 173 Downloads
Subject: Chemistry , Working Paper , Title: Predicting and Explaining Yields with Machine Learning for Carboxylated Azoles and Beyond , Authors: Kerrin Janssen, Jonny Proppe Version 1 posted 16 December 2024 Show abstract Download 514 Downloads
Subject: Chemistry , Review , Title: Molecular Similarity: Theory, Applications, and Perspectives , Authors: Kenneth Lopez Perez, Juan Avellaneda Tamayo, Lexin Chen, Edgar Lopez Lopez, K. Euridice Juarez Mercado, Jose Luis Medina Franco, Ramon Miranda-Quintana Version 1 posted 24 November 2023 Show abstract Download 1,383 Downloads
Subject: Chemistry , Working Paper , Title: Machine Learning Reactivity in the Chemical Space Surrounding Vaska's Complex , Authors: Pascal Friederich, Gabriel dos Passos Gomes, Riccardo De Bin, Alan Aspuru-Guzik, David Balcells Version 1 posted 27 November 2019 Show abstract Download 1,794 Downloads
