| Title |
Structure and reaction based evaluation of synthetic accessibility
|
|---|---|
| Published in |
Perspectives in Drug Discovery and Design, February 2007
|
| DOI | 10.1007/s10822-006-9099-2 |
| Pubmed ID | |
| Authors |
Krisztina Boda, Thomas Seidel, Johann Gasteiger |
| Abstract |
De novo design systems provide powerful methods to suggest a set of novel structures with high estimated binding affinity. One deficiency of these methods is that some of the suggested structures could be synthesized only with great difficulty. We devised a scoring method that rapidly evaluates synthetic accessibility of structures based on structural complexity, similarity to available starting materials and assessment of strategic bonds where a structure can be decomposed to obtain simpler fragments. These individual components were combined to an overall score of synthetic accessibility by an additive scheme. The weights of the scoring function components were calculated by linear regression analysis based on accessibility scores derived from medicinal chemists. The calculated values for synthetic accessibility agree with the values proposed by chemists to an extent that compares well with how chemists agree with each other. |
X Demographics
The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Denmark | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 145 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Brazil | 3 | 2% |
| United States | 3 | 2% |
| United Kingdom | 2 | 1% |
| Indonesia | 1 | <1% |
| Belgium | 1 | <1% |
| India | 1 | <1% |
| Russia | 1 | <1% |
| Poland | 1 | <1% |
| Unknown | 132 | 91% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 36 | 25% |
| Student > Ph. D. Student | 32 | 22% |
| Student > Master | 21 | 14% |
| Other | 13 | 9% |
| Student > Bachelor | 11 | 8% |
| Other | 22 | 15% |
| Unknown | 10 | 7% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 65 | 45% |
| Agricultural and Biological Sciences | 17 | 12% |
| Pharmacology, Toxicology and Pharmaceutical Science | 12 | 8% |
| Computer Science | 11 | 8% |
| Biochemistry, Genetics and Molecular Biology | 7 | 5% |
| Other | 15 | 10% |
| Unknown | 18 | 12% |
Attention Score in Context
This research output has an Altmetric Attention Score of 14. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 18 November 2021.
All research outputs
#2,579,345
of 25,457,297 outputs
Outputs from Perspectives in Drug Discovery and Design
#64
of 949 outputs
Outputs of similar age
#9,011
of 170,233 outputs
Outputs of similar age from Perspectives in Drug Discovery and Design
#1
of 11 outputs
Altmetric has tracked 25,457,297 research outputs across all sources so far. Compared to these this one has done well and is in the 89th percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 949 research outputs from this source. They typically receive a little more attention than average, with a mean Attention Score of 5.3. This one has done particularly well, scoring higher than 93% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 170,233 tracked outputs that were published within six weeks on either side of this one in any source. This one has done particularly well, scoring higher than 94% of its contemporaries.
We're also able to compare this research output to 11 others from the same source and published within six weeks on either side of this one. This one has done particularly well, scoring higher than 90% of its contemporaries.