| scholarly article | Q13442814 |
| P50 | author | Bruno O Villoutreix | Q63372442 |
| P2093 | author name string | Ludovic Chaput | |
| Natesh Singh | |||
| P2860 | cites work | Educational Tools to Introduce Computer-Aided Drug Design to Students and to the Public at Large. | Q52680935 |
| PubChem 2019 update: improved access to chemical data | Q58106115 | ||
| ChEMBL: towards direct deposition of bioassay data | Q58608307 | ||
| In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening | Q62669359 | ||
| TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data | Q64067149 | ||
| Advances and Challenges in Computational Target Prediction | Q64140566 | ||
| Current Trends, Overlooked Issues, and Unmet Challenges in Virtual Screening | Q89503630 | ||
| Biased Diversity for Effective Virtual Screening | Q89568789 | ||
| Learning Drug Functions from Chemical Structures with Convolutional Neural Networks and Random Forests | Q90093766 | ||
| Virtual Screening in the Cloud: How Big Is Big Enough? | Q91088060 | ||
| Off-Pocket Activity Cliffs: A Puzzling Facet of Molecular Recognition | Q91602632 | ||
| Identification of Target Associations for Polypharmacology from Analysis of Crystallographic Ligands of the Protein Data Bank | Q91683441 | ||
| BRUSELAS: HPC Generic and Customizable Software Architecture for 3D Ligand-Based Virtual Screening of Large Molecular Databases | Q91915954 | ||
| Deep Learning in Chemistry | Q92717165 | ||
| ACID: a free tool for drug repurposing using consensus inverse docking strategy | Q94211057 | ||
| Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations? | Q27702310 | ||
| ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation | Q27902247 | ||
| QSAR modeling: where have you been? Where are you going to? | Q28222668 | ||
| Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information | Q28530221 | ||
| ChemMine tools: an online service for analyzing and clustering small molecules | Q28530229 | ||
| Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug development | Q28842702 | ||
| Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future Development | Q29406136 | ||
| The Art of Compiling Protein Binding Site Ensembles | Q30395448 | ||
| Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation | Q31106801 | ||
| The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data | Q31172453 | ||
| Recognizing pitfalls in virtual screening: a critical review | Q34204731 | ||
| An overview of molecular fingerprint similarity search in virtual screening | Q35838408 | ||
| How to recognize and workaround pitfalls in QSAR studies: a critical review | Q37597312 | ||
| Open source software and web services for designing therapeutic molecules | Q38104430 | ||
| Modeling of The hERG K+ Channel Blockage Using Online Chemical Database and Modeling Environment (OCHEM). | Q38600481 | ||
| Empirical Scoring Functions for Affinity Prediction of Protein-ligand Complexes | Q38792709 | ||
| Chemoinformatics as a Theoretical Chemistry Discipline | Q38911197 | ||
| Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM) | Q42265549 | ||
| Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology | Q42701435 | ||
| ChemSAR: an online pipelining platform for molecular SAR modeling. | Q43089449 | ||
| DrugBank 5.0: a major update to the DrugBank database for 2018. | Q47128239 | ||
| KDEEP: Protein-ligand absolute binding affinity prediction via 3D-convolutional neural networks | Q47224700 | ||
| P275 | copyright license | Creative Commons Attribution-NonCommercial 4.0 International | Q34179348 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P921 | main subject | web server | Q11288 |
| virtual screening | Q4112105 | ||
| P577 | publication date | 2020-03-18 | |
| P1433 | published in | Briefings in Bioinformatics | Q4967031 |
| P1476 | title | Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace |
| Q98171425 | Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages | cites work | P2860 |
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