Subject: Chemistry , Working Paper , Title: VSFlow: an open-source ligand-based virtual screening tool , Authors: Sascha Jung, Helge Vatheuer, Paul Czodrowski Version 1 posted 24 May 2022 Show abstract Download 1,481 Downloads
Subject: Chemistry , Working Paper , Title: Reconstruction of lossless molecular representations, SMILES and SELFIES, from fingerprints , Authors: Umit Volkan Ucak, Islambek Ashyrmamatov, Juyong Lee Version 2 posted 09 June 2022 Show abstract Download 2,184 Downloads 2 Citations
Subject: Chemistry , Working Paper , Title: Fast Substructure Search in Combinatorial Library Spaces , Authors: Thomas Liphardt, Thomas Sander Version 1 posted 17 February 2023 Show abstract Download 1,215 Downloads
Subject: Law , Working Paper , Title: Saying NO To Biometrics , Authors: Guru Dev Teeluckdharry Version 2 posted 11 January 2022 Show abstract Download 432 Downloads
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 1,459 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 1,902 Downloads
Subject: Chemistry , Working Paper , Title: Distributed Representation of Chemical Fragments , Authors: Suman Chakravarti Version 1 posted 20 October 2017 Show abstract Download 1,083 Downloads
Subject: Chemistry , Working Paper , Title: Scikit-Mol brings cheminformatics to Scikit-Learn , Authors: Esben Jannik Bjerrum, Rafał Adam Bachorz, Adrien Bitton, Oh-hyeon Choung, Ya Chen, Carmen Esposito, Son Viet Ha, Andreas Poehlmann Version 1 posted 06 December 2023 Show abstract Download 1,816 Downloads 7 Citations
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 6,384 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 1,827 Downloads
