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Drug Design

Papers archive 2025-07-28

archive papers tagged: 440 · with a code link: 180 · where Syntology ran a sample: 66 (58 with a run with no instrument failure, 8 where every run was a failure of Syntology's instrument) Syntology

Show: all tagged papersonly where code ran (66 of 440 tagged: 58 with a run with no instrument failure, 8 where every run was a failure of Syntology's instrument)

Page 5 of 5: papers 401 to 440 of 440, in archive order: by repositories listed in the archive (most first), then newest first, not by stars (the archive holds no stars, so PwC's “Social” and “Latest” sorts cannot be reproduced). Papers that list no repository come after every paper that lists one.

Papers without a page here are shown as plain text. A Syntology line reads “N ran (of which C constructed an object rather than computing a result; K with no instrument failure: H honoured, V violated, P with no contract checked; I where Syntology's instrument failed) · U unverified”; the figure “where Syntology's instrument failed” counts failures of Syntology's instrument, not of the code. When the archive marks a repository official for the paper, the line starts with that repository's state (the archive's flag, not a verdict on who wrote the code); hover it for the repositories the samples that ran came from. Abstracts are on each paper's page.

• Composing Molecules with Multiple Property Constraints
  1 Jan 2020 0 repositories listed
• Graph-augmented Convolutional Networks on Drug-Drug Interactions Prediction
  8 Dec 2019 0 repositories listed
• The recent advances in the mathematical modelling of human pluripotent stem cells
  23 Sep 2019 0 repositories listed
• FfDL : A Flexible Multi-tenant Deep Learning Platform
  14 Sep 2019 0 repositories listed
• PaccMannᴿᴸ: Designing anticancer drugs from transcriptomic data via reinforcement learning
  29 Aug 2019 0 repositories listed
• DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning
  20 Aug 2019 0 repositories listed
• Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria
  29 Jul 2019 0 repositories listed
• Towards Interpretable Sparse Graph Representation Learning with Laplacian Pooling
  28 May 2019 0 repositories listed
• Best Arm Identification in Generalized Linear Bandits
  20 May 2019 0 repositories listed
• Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks
  17 Apr 2019 0 repositories listed
• Structural insights into characterizing binding sites in EGFR kinase mutants
  27 Dec 2018 0 repositories listed
• Overview of Current Type I/II Kinase Inhibitors
  23 Nov 2018 0 repositories listed
• Transformative Machine Learning
  8 Nov 2018 0 repositories listed
• FRnet-DTI: Deep Convolutional Neural Networks with Evolutionary and Structural Features for Drug-Target Interaction
  19 Jun 2018 0 repositories listed
• Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges
  27 Apr 2018 0 repositories listed
• Meta Reinforcement Learning with Latent Variable Gaussian Processes
  20 Mar 2018 0 repositories listed
• Computational Analysis for the Rational Design of Anti-Amyloid Beta (ABeta) Antibodies
  22 Feb 2018 0 repositories listed
• Graph Memory Networks for Molecular Activity Prediction
  8 Jan 2018 0 repositories listed
• Using Deep Reinforcement Learning to Generate Rationales for Molecules
  1 Jan 2018 0 repositories listed
• DeepIso: A Deep Learning Model for Peptide Feature Detection
  9 Dec 2017 0 repositories listed
• Shape Complementarity Analysis for Objects of Arbitrary Shape
  1 Dec 2017 0 repositories listed
• Representation Learning on Graphs: Methods and Applications
  17 Sep 2017 0 repositories listed
• Meta-QSAR: a large-scale application of meta-learning to drug design and discovery
  12 Sep 2017 0 repositories listed
• Optimization of Tree Ensembles
  30 May 2017 0 repositories listed
• Rigidity strengthening is a vital mechanism for protein-ligand binding
  31 Mar 2017 0 repositories listed
• Challenges ahead Electron Microscopy for Structural Biology from the Image Processing point of view
  2 Jan 2017 0 repositories listed
• Knowledge-based machine learning methods for macromolecular 3D structure prediction
  13 Dec 2016 0 repositories listed
• Learning Protein Dynamics with Metastable Switching Systems
  5 Oct 2016 0 repositories listed
• Deep learning is competing random forest in computational docking
  23 Aug 2016 0 repositories listed
• Force spectroscopy in studying infection
  25 May 2016 0 repositories listed
• Learning to SMILE(S)
  19 Feb 2016 0 repositories listed
• Spherical Distance Metrics Applied to Protein Structure Classification
  18 Dec 2015 0 repositories listed
• Highly Scalable Tensor Factorization for Prediction of Drug-Protein Interaction Type
  1 Dec 2015 0 repositories listed
• Understanding of Genetic Code Degeneracy and New Way of Classifying of Protein Family: A Mathematical Approach
  30 Nov 2015 0 repositories listed
• Targets of drugs are generally, and targets of drugs having side effects are specifically good spreaders of human interactome perturbations
  13 May 2015 0 repositories listed
• Ideal gas behavior of rotamerically defined conformers in native globular proteins
  30 Apr 2015 0 repositories listed
• ComPPI, a cellular compartment-specific database for protein-protein interaction network analysis
  13 Jan 2015 0 repositories listed
• Ant Colony Optimization for Inferring Key Gene Interactions
  6 Jun 2014 0 repositories listed
• The Structural Biology and Critical Evaluation of Bacterial Proteases as Targets in New Drug Design
  3 Jun 2014 0 repositories listed
• Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models
  6 May 2014 0 repositories listed