Steven R. Shave

Publication Activity (10 Years)

Years Active: 2008-2024
Publications (10 Years): 6

Top Topics

Database Integration

Top Venues

J. Chem. Inf. Model.

Briefings Bioinform.

Publications

Steven R. Shave, Richard Kasprowicz, Abdullah M. Athar, Denise Vlachou, Neil O. Carragher, Cuong Q. Nguyen
Leak Proof CMap; a framework for training and evaluation of cell line agnostic L1000 similarity methods. CoRR (2024)
Steven R. Shave, John C. Dawson, Abdullah M. Athar, Cuong Q. Nguyen, Richard Kasprowicz, Neil O. Carragher
Phenonaut: multiomics data integration for phenotypic space exploration. Bioinform. 39 (4) (2023)
Yan-Kai Chen, Douglas R. Houston, Manfred Auer, Steven R. Shave
OpenFEPOPS: A Python implementation of the FEPOPS molecular similarity technique. J. Open Source Softw. 8 (92) (2023)
Miles McGibbon, Steven R. Shave, Jie Dong, Yumiao Gao, Douglas R. Houston, Jiancong Xie, Yuedong Yang, Philippe Schwaller, Vincent Blay
From intuition to AI: evolution of small molecule representations in drug discovery. Briefings Bioinform. 25 (1) (2023)
Steven R. Shave, Nhan T. Pham, Manfred Auer
CLAffinity: A Software Tool for Identification of Optimum Ligand Affinity for Competition-Based Primary Screens. J. Chem. Inf. Model. 62 (10) (2022)
Steven R. Shave, Yan-Kai Chen, Nhan T. Pham, Manfred Auer
PyBindingCurve, Simulation, and Curve Fitting to Complex Binding Systems at Equilibrium. J. Chem. Inf. Model. 61 (6) (2021)
Steven R. Shave, Manfred Auer
CSBB-ConeExclusion, Adapting Structure Based Solution Virtual Screening to Libraries on Solid Support. J. Chem. Inf. Model. 53 (12) (2013)
Chian Teo, Steven R. Shave, Adam Leow Thean Chor, Abu Salleh, Mohd Basyaruddin Abdul Rahman, Malcolm D. Walkinshaw, Bimo Ario Tejo
Discovery of a new class of inhibitors for the protein arginine deiminase type 4 (PAD4) by structure-based virtual screening. BMC Bioinform. 13 (S-17) (2012)
Kun-Yi Hsin, Hugh P. Morgan, Steven R. Shave, Andrew C. Hinton, Paul Taylor, Malcolm D. Walkinshaw
EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities. Nucleic Acids Res. 39 (Database-Issue) (2011)
Steven R. Shave, Paul Taylor, Malcolm D. Walkinshaw, Lorna Smith, Judy Hardy, Arthur S. Trew
Ligand discovery on massively parallel systems. IBM J. Res. Dev. 52 (1-2) (2008)