| scholarly article | Q13442814 |
| P356 | DOI | 10.1111/J.2042-7158.2011.01424.X |
| P698 | PubMed publication ID | 22420655 |
| P50 | author | Jóhannes Reynisson | Q88121406 |
| P2093 | author name string | Bo Yu | |
| Kurt L M Drew | |||
| Prashanna Khwaounjoo | |||
| Hakim Baiman | |||
| P2860 | cites work | DrugBank: a comprehensive resource for in silico drug discovery and exploration | Q24188653 |
| DrugBank: a knowledgebase for drugs, drug actions and drug targets | Q24650300 | ||
| Molecular docking and ligand specificity in fragment-based inhibitor discovery | Q27654237 | ||
| Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings | Q28842973 | ||
| The art and practice of structure-based drug design: A molecular modeling perspective | Q29029768 | ||
| 970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13 | Q29387357 | ||
| New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays | Q29615588 | ||
| Combinatorial compound libraries for drug discovery: an ongoing challenge | Q30310572 | ||
| Drug-like properties and the causes of poor solubility and poor permeability | Q30660926 | ||
| Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease | Q30883378 | ||
| Is there a difference between leads and drugs? A historical perspective | Q31017131 | ||
| A specific mechanism of nonspecific inhibition | Q31166009 | ||
| Investigation of the incidence of "undesirable" molecular moieties for high-throughput screening compound libraries in marketed drug compounds | Q33359104 | ||
| Exploring neurotherapeutic space: how many neurological drugs exist (or could exist)? | Q33781539 | ||
| Molecular properties that influence the oral bioavailability of drug candidates | Q34130727 | ||
| Nonleadlikeness and leadlikeness in biochemical screening | Q34174693 | ||
| Current trends in lead discovery: are we looking for the appropriate properties? | Q35054077 | ||
| Lead- and drug-like compounds: the rule-of-five revolution | Q38225014 | ||
| The influence of drug-like concepts on decision-making in medicinal chemistry | Q46922861 | ||
| Power-Law Distributions in Empirical Data | Q50377899 | ||
| Cheminformatic tools for medicinal chemists. | Q51711780 | ||
| Polar molecular surface properties predict the intestinal absorption of drugs in humans. | Q55067034 | ||
| Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups | Q56032354 | ||
| A Quantitative Approach to the Estimation of Chemical Space from a Given Geometry by the Combination of Atomic Species | Q58451370 | ||
| Characteristics of known drug space. Natural products, their derivatives and synthetic drugs | Q58829045 | ||
| ??? | Q28649301 | ||
| P433 | issue | 4 | |
| P304 | page(s) | 490-495 | |
| P577 | publication date | 2011-12-29 | |
| P1433 | published in | Journal of Pharmacy and Pharmacology | Q10532762 |
| P1476 | title | Size estimation of chemical space: how big is it? | |
| P478 | volume | 64 |
| Q28645765 | 227 Views of RNA: Is RNA Unique in Its Chemical Isomer Space? |
| Q92965203 | Adaptive Properties of the Genetically Encoded Amino Acid Alphabet Are Inherited from Its Subsets |
| Q30662631 | Estimation of the size of drug-like chemical space based on GDB-17 data. |
| Q34314898 | Fragment-based screening by protein crystallography: successes and pitfalls |
| Q114369129 | GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics |
| Q64268874 | Generation of Quality Hit Matter for Successful Drug Discovery Projects |
| Q38538365 | Lost in chemical space? Maps to support organometallic catalysis |
| Q51590304 | Microscopic Characterization of Membrane Transporter Function by In Silico Modeling and Simulation. |
| Q30576905 | Molpher: a software framework for systematic chemical space exploration |
| Q30366789 | Protein structure prediction provides comparable performance to crystallographic structures in docking-based virtual screening. |
| Q37417543 | Rapid parameterization of small molecules using the Force Field Toolkit |
| Q91698273 | Rethinking drug design in the artificial intelligence era |
| Q27008867 | Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review |
Search more.