A PHP Error was encountered
Severity: Warning
Message: fopen(/var/lib/php/sessions/ci_session4403m9odfm71otkk221ppa7s37t6fd09): Failed to open stream: No space left on device
Filename: drivers/Session_files_driver.php
Line Number: 177
Backtrace:
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: session_start(): Failed to read session data: user (path: /var/lib/php/sessions)
Filename: Session/Session.php
Line Number: 137
Backtrace:
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Undefined array key "choices"
Filename: controllers/Detail.php
Line Number: 249
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Trying to access array offset on value of type null
Filename: controllers/Detail.php
Line Number: 249
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Trying to access array offset on value of type null
Filename: controllers/Detail.php
Line Number: 249
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Trying to access array offset on value of type null
Filename: controllers/Detail.php
Line Number: 249
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: 8192
Message: strpos(): Passing null to parameter #1 ($haystack) of type string is deprecated
Filename: models/Detail_model.php
Line Number: 71
Backtrace:
File: /var/www/html/application/models/Detail_model.php
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: 8192
Message: str_replace(): Passing null to parameter #3 ($subject) of type array|string is deprecated
Filename: helpers/my_audit_helper.php
Line Number: 8919
Backtrace:
File: /var/www/html/application/helpers/my_audit_helper.php
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Undefined array key "choices"
Filename: controllers/Detail.php
Line Number: 256
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Trying to access array offset on value of type null
Filename: controllers/Detail.php
Line Number: 256
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Trying to access array offset on value of type null
Filename: controllers/Detail.php
Line Number: 256
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Undefined array key "usage"
Filename: controllers/Detail.php
Line Number: 257
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Trying to access array offset on value of type null
Filename: controllers/Detail.php
Line Number: 257
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Undefined array key "usage"
Filename: controllers/Detail.php
Line Number: 258
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Trying to access array offset on value of type null
Filename: controllers/Detail.php
Line Number: 258
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Undefined array key "usage"
Filename: controllers/Detail.php
Line Number: 259
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Trying to access array offset on value of type null
Filename: controllers/Detail.php
Line Number: 259
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Undefined array key "usage"
Filename: controllers/Detail.php
Line Number: 260
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Trying to access array offset on value of type null
Filename: controllers/Detail.php
Line Number: 260
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Trying to access array offset on value of type null
Filename: controllers/Detail.php
Line Number: 260
Backtrace:
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: file_get_contents(https://...@gmail.com&api_key=61f08fa0b96a73de8c900d749fcb997acc09): Failed to open stream: HTTP request failed! HTTP/1.1 429 Too Many Requests
Filename: helpers/my_audit_helper.php
Line Number: 143
Backtrace:
File: /var/www/html/application/helpers/my_audit_helper.php
File: /var/www/html/application/helpers/my_audit_helper.php
File: /var/www/html/application/helpers/my_audit_helper.php
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
A PHP Error was encountered
Severity: Warning
Message: Attempt to read property "Count" on bool
Filename: helpers/my_audit_helper.php
Line Number: 3100
Backtrace:
File: /var/www/html/application/helpers/my_audit_helper.php
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/application/controllers/Detail.php
File: /var/www/html/index.php
Ligand efficiency indices for effective drug discovery: a unifying vector formulation. | LitMetric
Introduction : The area of ligand efficiency indices (LEIs) in drug discovery has developed significantly since the initial publications nearly 20 years ago. A large number of different LEIs have been defined and applied with certain degrees of success and acceptance in the community. An overall view emphasizing more the common elements than the differences is needed.Areas Covered : In this review, the author accentuates the numerical and algebraic relationships among the different LEIs and proposes the notion of 'ligand efficiency index' (LEI) as a vector variable comprising two interrelated components that provide 'direction' and 'distance' along the drug discovery process. The same concept had been suggested before relating to the graphical representation of the content of Structure-Activity Databases (SAR-Databases).Expert Opinion : The extension of the concept of ligand efficiency from a scalar to a vector will help to unify the different formulations by emphasizing the relationship among the different variables. It should also provide an algebraically robust framework to critically assess the value of LEIs, and to incorporate them routinely in various workflows and protocols. Only cautious and rigorous testing by the community could provide a definitive proof of their possible value as reliable optimization variables in drug discovery.
Similar Publications
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!
